| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 59.4 | Low | 61.8 | Low | 248 Ų | 248 | 157.5 Ų | 157.5 | 100% | 1.222 | 89% | 0.89 | S | S | * | * | 0 | 103.2 | 0 | -76.5 | 162.5 | 154.1 | 0 | 0 | 107.9 | |||||
| 2 | C | 65.6 | Low | 61.3 | Low | 122 Ų | 122 | 154.2 Ų | 154.2 | 82% | 0.824 | 88% | 0.879 | S | S | * | * | trans | -106.5 | 152.4 | 164 | -62.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3 | P | 68.5 | Low | 61 | Low | 131 Ų | 131 | 150.5 Ų | 150.5 | 85% | 0.851 | 87% | 0.869 | S | S | * | * | -137.6 | 139.6 | 107.4 | 30.6 | -15.8 | 0 | 0 | 0 | 114.7 | |||||
| 4 | T | 60.4 | Low | 60.9 | Low | 135 Ų | 135 | 148.4 Ų | 148.4 | 83% | 0.828 | 87% | 0.868 | S | S | * | * | trans | -69.2 | 147.5 | 168.2 | 29.6 | 0 | 0 | 0 | 0 | 112.2 | K6 | T4-K6 PolarHBondContact O-N 3.5Š| ||
| 5 | K | 69.1 | Low | 60.4 | Low | 211 Ų | 211 | 145.5 Ų | 145.5 | 92% | 0.917 | 86% | 0.855 | S | S | * | * | trans | -80.9 | 110.1 | 178.4 | -172.7 | 169.8 | 179.1 | 171.6 | 0 | 110.6 | ||||
| 6 | K | 72.2 | Confident | 59 | Low | 202 Ų | 202 | 143.2 Ų | 143.2 | 88% | 0.878 | 85% | 0.847 | S | S | * | * | trans | -62.6 | 149.1 | 153.8 | -75.1 | 173.2 | 174.2 | 176.2 | 0 | 107.7 | T4 | T4-K6 PolarHBondContact O-N 3.5Š| ||
| 7 | G | 52.6 | Low | 58.2 | Low | 70 Ų | 70 | 149.7 Ų | 149.7 | 72% | 0.722 | 85% | 0.854 | S | S | * | * | cis | 146.8 | 124.5 | 18.8 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 8 | M | 65.8 | Low | 57.6 | Low | 201 Ų | 201 | 147.1 Ų | 147.1 | 99% | 0.99 | 85% | 0.847 | S | S | * | * | trans | -127.1 | 119 | 172.5 | -75.7 | 165.8 | 92.9 | 0 | 0 | 108 | ||||
| 9 | T | 58.3 | Low | 56.9 | Low | 149 Ų | 149 | 144.6 Ų | 144.6 | 91% | 0.914 | 85% | 0.845 | S | S | * | * | trans | -96 | 151.1 | -177 | 33.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 10 | G | 52.8 | Low | 56.2 | Low | 73 Ų | 73 | 143 Ų | 143 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | trans | 112.3 | 129.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 11 | E | 55.3 | Low | 55.6 | Low | 190 Ų | 190 | 141.2 Ų | 141.2 | 89% | 0.888 | 84% | 0.844 | S | S | * | * | cis | -154.5 | 155.9 | -2.8 | -73.4 | -161.1 | 104.2 | 0 | 0 | 106.8 | ||||
| 12 | P | 55.6 | Low | 54.8 | Low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | -94.2 | 175.2 | 179.7 | 38 | -32.4 | 0 | 0 | 0 | 112.5 | ||||
| 13 | S | 57 | Low | 53.6 | Low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | 88.6 | 105.1 | 160.3 | 76.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 14 | S | 59.4 | Low | 52.5 | Low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -124.4 | 112.9 | 144.3 | -75.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 15 | P | 53.7 | Low | 52 | Low | 104 Ų | 104 | 133.9 Ų | 133.9 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | trans | -77.1 | 141.3 | 178.8 | -7.6 | 24.2 | 0 | 0 | 0 | 111.1 | R17 | P15-R17 PolarHBondContact O-N 3.21Š| ||
| 16 | C | 38 | Very low | 51.2 | Low | 109 Ų | 109 | 131.3 Ų | 131.3 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -6 | 114.7 | 143.7 | 39.5 | 0 | 0 | 0 | 0 | 115.4 | S18 | C16-S18 PolarHBondContact O-N 3.39Š| ||
| 17 | R | 46 | Very low | 50.5 | Low | 254 Ų | 254 | 129.4 Ų | 129.4 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | trans | -77.1 | 100.1 | 158.8 | -79.2 | 177.9 | 128.5 | -148.1 | -2 | 108.1 | P15 | P15-R17 PolarHBondContact O-N 3.21Š| ||
| 18 | S | 46.5 | Very low | 51 | Low | 103 Ų | 103 | 128.2 Ų | 128.2 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -57.2 | 145.5 | 171.8 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | C16 | C16-S18 PolarHBondContact O-N 3.39Š| ||
| 19 | A | 44.8 | Very low | 51.1 | Low | 99 Ų | 99 | 122.8 Ų | 122.8 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -51.8 | 137.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 20 | S | 43.7 | Very low | 52 | Low | 113 Ų | 113 | 116.3 Ų | 116.3 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | trans | -113.4 | 97.1 | 155.4 | -59.5 | 0 | 0 | 0 | 0 | 106.3 | S22 | S20-S22 PolarHBondContact O-N 3.2Š| ||
| 21 | A | 42.5 | Very low | 53 | Low | 105 Ų | 105 | 113.7 Ų | 113.7 | 87% | 0.868 | 67% | 0.669 | S | S | * | * | trans | -73.8 | 96.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 22 | S | 43.7 | Very low | 53.6 | Low | 87 Ų | 87 | 112.7 Ų | 112.7 | 61% | 0.608 | 66% | 0.657 | S | S | * | * | trans | -112.5 | 108.9 | 168.5 | 46 | 0 | 0 | 0 | 0 | 107.8 | S20 L24 | S20-S22 PolarHBondContact O-N 3.2Å; S22-L24 PolarHBondContact O-N 3.36Å | ||
| 23 | T | 39.4 | Very low | 54.3 | Low | 154 Ų | 154 | 110.7 Ų | 110.7 | 95% | 0.945 | 64% | 0.643 | S | S | * | * | trans | -59.7 | 94.7 | 173.6 | -18.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 24 | L | 46.3 | Very low | 54.7 | Low | 134 Ų | 134 | 106.6 Ų | 106.6 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | trans | -129.4 | 145.2 | 173.9 | -91.1 | 164.6 | 0 | 0 | 0 | 106.9 | S22 E26 | S22-L24 PolarHBondContact O-N 3.36Å; L24-E26 PolarHBondContact O-N 3.39Å | ||
| 25 | P | 48.3 | Very low | 55 | Low | 108 Ų | 108 | 106.2 Ų | 106.2 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -53.5 | 130.9 | -171.6 | 24.7 | -33.9 | 0 | 0 | 0 | 109 | H27 | P25-H27 VanDerWaalsContact C-N 3.29Å; P25-H27 WeakPolarHBondContact O-CA 3.46Å; P25-H27 PolarHBondContact O-N 3.25Å |
| 26 | E | 53.7 | Low | 55.6 | Low | 157 Ų | 157 | 106.9 Ų | 106.9 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | trans | -35.1 | 87.4 | -171.1 | -72.5 | 177.9 | 116.7 | 0 | 0 | 112.4 | L24 H28 | L24-E26 PolarHBondContact O-N 3.39Å; E26-H28 VanDerWaalsContact C-N 3.33Å; E26-H28 PolarHBondContact O-N 3.14Å | ||
| 27 | H | 57.9 | Low | 57 | Low | 162 Ų | 162 | 107.2 Ų | 107.2 | 75% | 0.75 | 60% | 0.603 | S | S | * | * | trans | -87 | 86.8 | -174.8 | -151.8 | 64.1 | 0 | 0 | 0 | 106.2 | P25 Q29 | P25-H27 VanDerWaalsContact C-N 3.29Å; P25-H27 WeakPolarHBondContact O-CA 3.46Å; P25-H27 PolarHBondContact O-N 3.25Å; H27-Q29 PolarHBondContact O-N 2.96Å; H27-Q29 VanDerWaalsContact O-N 3.11Å | ||
| 28 | H | 62.7 | Low | 58.1 | Low | 44 Ų | 44 | 105.7 Ų | 105.7 | 20% | 0.204 | 60% | 0.597 | C | S | . | * | P | Polyproline II helix | trans | -56.9 | 118.5 | 175.2 | -61.6 | -71.9 | 0 | 0 | 0 | 108.6 | E26 T30 L109 | E26-H28 VanDerWaalsContact C-N 3.33Å; E26-H28 PolarHBondContact O-N 3.14Å; H28-T30 PolarHBondContact O-N 2.92Å; H28-T30 VanDerWaalsContact O-N 3.08Å; H28-L109 HydrophobicContact CB-CD1 4.29Å |
| 29 | Q | 67.7 | Low | 58.9 | Low | 87 Ų | 87 | 106.3 Ų | 106.3 | 41% | 0.407 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.4 | 117.3 | 179.9 | -171.9 | 179.8 | 23.9 | 0 | 0 | 108.4 | H27 T33 C107 C108 L109 | H27-Q29 PolarHBondContact O-N 2.96Å; H27-Q29 VanDerWaalsContact O-N 3.11Å; Q29-T33 WeakPolarHBondContact CG-OG1 3.32Å; Q29-C107 WeakPolarHBondContact CB-O 3.45Å; Q29-C108 VanDerWaalsContact O-CA 3.3Å; Q29-C108 WeakPolarHBondContact O-CA 3.44Å; Q29-L109 PolarHBondContact O-N 3Å; Q29-L109 VanDerWaalsContact O-N 3.15Å |
| 30 | T | 78.2 | Confident | 59.7 | Low | 14 Ų | 14 | 104.9 Ų | 104.9 | 9% | 0.086 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 160.8 | 178.2 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | H28 W32 T33 S34 L109 A112 | H28-T30 PolarHBondContact O-N 2.92Å; H28-T30 VanDerWaalsContact O-N 3.08Å; T30-W32 PolarHBondContact O-N 3.05Å; T30-W32 VanDerWaalsContact O-N 3.13Å; T30-T33 PolarHBondContact N-OG1 3.34Å; T30-T33 PolarHBondContact O-N 3.28Å; T30-T33 PolarHBondContact O-OG1 3.27Å; T30-S34 PolarHBondContact O-N 2.77Å; T30-L109 CarbonylContact C-O 3.55Å; T30-L109 VanDerWaalsContact CA-O 3.23Å; T30-L109 WeakPolarHBondContact CA-O 3.39Å; T30-A112 HydrophobicContact CG2-CB 3.73Å; T30-A112 VanDerWaalsContact CG2-N 3.32Å |
| 31 | V | 72.4 | Confident | 60.5 | Low | 17 Ų | 17 | 103.5 Ų | 103.5 | 10% | 0.103 | 59% | 0.59 | C | S | . | * | G | 310 helix | trans | -50.4 | -36.7 | 171.8 | 171.3 | 0 | 0 | 0 | 0 | 112.4 | T33 S34 V52 R54 L109 N110 | V31-T33 VanDerWaalsContact C-N 3.28Å; V31-T33 PolarHBondContact O-N 2.69Å; V31-S34 PolarHBondContact O-N 3.49Å; V31-S34 VanDerWaalsContact O-N 3.16Å; V31-S34 PolarHBondContact O-OG 3.16Å; V31-V52 HydrophobicContact CG1-CG1 3.95Å; V31-V52 VanDerWaalsContact CG1-O 3.26Å; V31-V52 WeakPolarHBondContact CG1-O 3.34Å; V31-R54 HydrophobicContact CG2-CG 3.71Å; V31-L109 PolarHBondContact N-O 2.74Å; V31-L109 VanDerWaalsContact N-O 3.08Å; V31-N110 HydrophobicContact CG2-CB 4.44Å; V31-N110 VanDerWaalsContact CG2-OD1 3.28Å; V31-N110 WeakPolarHBondContact CG2-OD1 3.4Å |
| 32 | W | 68.8 | Low | 61.6 | Low | 169 Ų | 169 | 107.9 Ų | 107.9 | 64% | 0.64 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -65.8 | -28.7 | 179.7 | -55.5 | 102.4 | 0 | 0 | 0 | 113.7 | T30 V52 F53 | T30-W32 PolarHBondContact O-N 3.05Å; T30-W32 VanDerWaalsContact O-N 3.13Å; W32-V52 HydrophobicContact CE3-CG1 4.43Å; W32-V52 HydrophobicContact CH2-CG1 3.75Å; W32-V52 HydrophobicContact CZ2-CG1 3.86Å; W32-V52 HydrophobicContact CZ3-CG1 4.04Å; W32-F53 HydrophobicContact CZ2-CE1 4.29Å |
| 33 | T | 69 | Low | 62.2 | Low | 77 Ų | 77 | 109 Ų | 109 | 47% | 0.472 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -86.5 | -14.6 | 176 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | Q29 T30 V31 | Q29-T33 WeakPolarHBondContact CG-OG1 3.32Å; T30-T33 PolarHBondContact N-OG1 3.34Å; T30-T33 PolarHBondContact O-N 3.28Å; T30-T33 PolarHBondContact O-OG1 3.27Å; V31-T33 VanDerWaalsContact C-N 3.28Å; V31-T33 PolarHBondContact O-N 2.69Å |
| 34 | S | 65.4 | Low | 63.1 | Low | 20 Ų | 20 | 111.5 Ų | 111.5 | 14% | 0.14 | 59% | 0.586 | C | S | . | * | S | Bend | trans | -85.7 | 140.7 | 178.5 | 71.3 | 0 | 0 | 0 | 0 | 111.1 | T30 V31 R54 | T30-S34 PolarHBondContact O-N 2.77Å; V31-S34 PolarHBondContact O-N 3.49Å; V31-S34 VanDerWaalsContact O-N 3.16Å; V31-S34 PolarHBondContact O-OG 3.16Å; S34-R54 PolarHBondContact OG-NH2 3.38Å |
| 35 | P | 65.6 | Low | 63.9 | Low | 113 Ų | 113 | 112.5 Ų | 112.5 | 73% | 0.734 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 139.1 | 178.7 | 22.1 | -32.3 | 0 | 0 | 0 | 109.9 | K37 | P35-K37 PolarHBondContact O-N 2.77Š|
| 36 | P | 66.5 | Low | 64.9 | Low | 119 Ų | 119 | 118.2 Ų | 118.2 | 77% | 0.773 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135.5 | -172.8 | 22.6 | -33.4 | 0 | 0 | 0 | 109.7 | R38 | P36-R38 PolarHBondContact O-N 3.1Š|
| 37 | K | 67.5 | Low | 65.9 | Low | 115 Ų | 115 | 115.9 Ų | 115.9 | 50% | 0.5 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 116.1 | 177.6 | -174.9 | -175.7 | 168 | -143.9 | 0 | 107.6 | P35 E47 | P35-K37 PolarHBondContact O-N 2.77Å; K37-E47 IonicContact NZ-OE1 2.73Å; K37-E47 PolarHBondContact NZ-OE1 2.81Å |
| 38 | R | 68.9 | Low | 67.3 | Low | 223 Ų | 223 | 111.5 Ų | 111.5 | 84% | 0.842 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 129.5 | 179 | -64.5 | 179.6 | 75.9 | 173.1 | 4.2 | 107.8 | P36 A40 | P36-R38 PolarHBondContact O-N 3.1Å; R38-A40 PolarHBondContact O-N 3.32Å |
| 39 | P | 64.6 | Low | 68.5 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 75% | 0.753 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -54 | 124.2 | 174.1 | 22.6 | -31.6 | 0 | 0 | 0 | 106.4 | G41 | P39-G41 PolarHBondContact O-N 2.97Š|
| 40 | A | 61.4 | Low | 69.6 | Low | 69 Ų | 69 | 113.2 Ų | 113.2 | 57% | 0.57 | 57% | 0.568 | S | S | * | * | trans | -59.4 | 112.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | R38 R42 | R38-A40 PolarHBondContact O-N 3.32Å; A40-R42 PolarHBondContact O-N 3.29Å | ||
| 41 | G | 60.4 | Low | 69.9 | Low | 84 Ų | 84 | 117.1 Ų | 117.1 | 87% | 0.866 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -63.2 | 18.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P39 | P39-G41 PolarHBondContact O-N 2.97Š|
| 42 | R | 64.6 | Low | 70.7 | Confident | 196 Ų | 196 | 118.9 Ų | 118.9 | 74% | 0.74 | 60% | 0.604 | S | S | * | * | trans | -98.6 | 88.8 | 172 | -176.1 | 155.9 | 148.4 | 169.3 | -7.6 | 107.9 | A40 | A40-R42 PolarHBondContact O-N 3.29Š| ||
| 43 | T | 58.1 | Low | 71.7 | Confident | 111 Ų | 111 | 112.2 Ų | 112.2 | 68% | 0.681 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | 150.6 | 163.9 | 58.3 | 0 | 0 | 0 | 0 | 108.5 | ||
| 44 | K | 57.7 | Low | 72.7 | Confident | 207 Ų | 207 | 113.7 Ų | 113.7 | 90% | 0.9 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.4 | 20.8 | 168 | 48.7 | -179.4 | 168.1 | -179.6 | 0 | 121 | ||
| 45 | F | 63.4 | Low | 73.9 | Confident | 154 Ų | 154 | 114 Ų | 114 | 68% | 0.675 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -110.5 | 117.5 | 152.8 | -165.5 | -104.7 | 0 | 0 | 0 | 108.2 | E47 | F45-E47 PolarHBondContact O-N 3.11Š|
| 46 | R | 69.2 | Low | 75.3 | Confident | 228 Ų | 228 | 108.9 Ų | 108.9 | 86% | 0.86 | 55% | 0.55 | S | S | * | . | trans | -44.7 | 103.6 | 178.7 | -75.4 | -179 | 171.3 | -179.8 | -2.5 | 108.6 | T48 | R46-T48 PolarHBondContact O-N 2.67Š| ||
| 47 | E | 75.1 | Confident | 76.5 | Confident | 109 Ų | 109 | 106.9 Ų | 106.9 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | trans | -68 | 101.6 | -177.4 | -174.9 | 163.5 | -164.4 | 0 | 0 | 106.5 | K37 F45 R49 | K37-E47 IonicContact NZ-OE1 2.73Å; K37-E47 PolarHBondContact NZ-OE1 2.81Å; F45-E47 PolarHBondContact O-N 3.11Å; E47-R49 HydrophobicContact CG-CB 4.13Å; E47-R49 PolarHBondContact O-N 3.31Å | ||
| 48 | T | 86.4 | Confident | 77.6 | Confident | 69 Ų | 69 | 108.1 Ų | 108.1 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | trans | -76.8 | -8.2 | 177.4 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | R46 R57 R58 | R46-T48 PolarHBondContact O-N 2.67Å; T48-R57 CarbonylContact O-C 3.54Å; T48-R57 WeakPolarHBondContact O-CA 3.42Å; T48-R58 WeakPolarHBondContact CB-O 3.3Å; T48-R58 PolarHBondContact O-N 3.16Å | ||
| 49 | R | 88.7 | Confident | 78.6 | Confident | 135 Ų | 135 | 105.2 Ų | 105.2 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | -85.1 | 145.6 | -177.9 | -61.8 | -173.6 | -176.3 | -171.3 | 7 | 110.4 | E47 | E47-R49 HydrophobicContact CG-CB 4.13Å; E47-R49 PolarHBondContact O-N 3.31Å |
| 50 | H | 89 | Confident | 79.4 | Confident | 33 Ų | 33 | 102.6 Ų | 102.6 | 15% | 0.153 | 51% | 0.512 | C | S | . | . | trans | -66 | 138.1 | 171.4 | -164.6 | -81.4 | 0 | 0 | 0 | 109.8 | V52 F53 V56 W65 | H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact ND1-N 3.24Å; H50-F53 HydrophobicContact CB-CB 4.38Å; H50-F53 AromaticContact CD2-CD2 3.86Å; H50-F53 AromaticContact CE1-CD2 3.29Å; H50-F53 WeakPolarHBondContact CE1-CD2 3.42Å; H50-F53 AromaticContact CE1-CE2 3.6Å; H50-F53 AromaticContact CG-CD2 3.81Å; H50-F53 AromaticContact ND1-CD2 3.45Å; H50-F53 WeakPolarHBondContact ND1-CD2 3.08Å; H50-F53 AromaticContact ND1-CG 3.88Å; H50-F53 PolarHBondContact ND1-N 3.29Å; H50-F53 AromaticContact NE2-CD2 3.57Å; H50-F53 AromaticContact NE2-CE2 3.78Å; H50-V56 HydrophobicContact CB-CB 3.94Å; H50-V56 HydrophobicContact CB-CG1 3.99Å; H50-V56 PolarHBondContact N-O 3.39Å; H50-W65 HydrophobicContact CB-CZ3 4.09Å; H50-W65 AromaticContact CD2-CH2 3.52Å; H50-W65 AromaticContact CD2-CZ3 3.71Å | ||
| 51 | P | 85.6 | Confident | 80.2 | Confident | 96 Ų | 96 | 105.8 Ų | 105.8 | 62% | 0.623 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -68.5 | -33.2 | -178.9 | 24.5 | -33.6 | 0 | 0 | 0 | 112.9 | ||
| 52 | V | 88.4 | Confident | 81.2 | Confident | 53 Ų | 53 | 105.6 Ų | 105.6 | 32% | 0.321 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -95.4 | -73 | -179.6 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | V31 W32 H50 | V31-V52 HydrophobicContact CG1-CG1 3.95Å; V31-V52 VanDerWaalsContact CG1-O 3.26Å; V31-V52 WeakPolarHBondContact CG1-O 3.34Å; W32-V52 HydrophobicContact CE3-CG1 4.43Å; W32-V52 HydrophobicContact CH2-CG1 3.75Å; W32-V52 HydrophobicContact CZ2-CG1 3.86Å; W32-V52 HydrophobicContact CZ3-CG1 4.04Å; H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact ND1-N 3.24Å |
| 53 | F | 91.3 | Very high | 82.3 | Confident | 29 Ų | 29 | 97.7 Ų | 97.7 | 13% | 0.127 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -61.6 | 136.4 | -174.4 | -52 | -54.1 | 0 | 0 | 0 | 115.3 | W32 H50 V56 A87 A91 N110 F111 | W32-F53 HydrophobicContact CZ2-CE1 4.29Å; H50-F53 HydrophobicContact CB-CB 4.38Å; H50-F53 AromaticContact CD2-CD2 3.86Å; H50-F53 AromaticContact CE1-CD2 3.29Å; H50-F53 WeakPolarHBondContact CE1-CD2 3.42Å; H50-F53 AromaticContact CE1-CE2 3.6Å; H50-F53 AromaticContact CG-CD2 3.81Å; H50-F53 AromaticContact ND1-CD2 3.45Å; H50-F53 WeakPolarHBondContact ND1-CD2 3.08Å; H50-F53 AromaticContact ND1-CG 3.88Å; H50-F53 PolarHBondContact ND1-N 3.29Å; H50-F53 AromaticContact NE2-CD2 3.57Å; H50-F53 AromaticContact NE2-CE2 3.78Å; F53-V56 HydrophobicContact CB-CB 4.18Å; F53-V56 HydrophobicContact CB-CG2 3.8Å; F53-A87 HydrophobicContact CD2-CB 4.07Å; F53-A87 HydrophobicContact CE2-CB 4.11Å; F53-A91 HydrophobicContact CB-CB 3.79Å; F53-A91 HydrophobicContact CD1-CB 3.82Å; F53-A91 HydrophobicContact CD2-CB 4.2Å; F53-A91 HydrophobicContact CE1-CB 4.47Å; F53-A91 HydrophobicContact CG-CB 3.67Å; F53-N110 HydrophobicContact CD1-CB 4.25Å; F53-F111 HydrophobicContact CD1-CZ 4.07Å; F53-F111 AromaticContact CE1-CE1 3.64Å; F53-F111 HydrophobicContact CE1-CE1 3.64Å; F53-F111 HydrophobicContact CE1-CE2 4.42Å; F53-F111 AromaticContact CE1-CZ 3.5Å; F53-F111 HydrophobicContact CE1-CZ 3.5Å; F53-F111 HydrophobicContact CZ-CE1 4.1Å; F53-F111 AromaticContact CZ-CZ 3.94Å; F53-F111 HydrophobicContact CZ-CZ 3.94Å |
| 54 | R | 89.8 | Confident | 83.9 | Confident | 108 Ų | 108 | 97 Ų | 97 | 41% | 0.408 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -78.4 | 148.4 | 172.8 | -63 | 175.2 | -176.3 | -87.7 | -6.2 | 110.1 | V31 S34 V56 N110 | V31-R54 HydrophobicContact CG2-CG 3.71Å; S34-R54 PolarHBondContact OG-NH2 3.38Å; R54-V56 PolarHBondContact O-N 2.74Å; R54-V56 VanDerWaalsContact O-N 3.08Å; R54-N110 WeakPolarHBondContact CB-OD1 3.43Å; R54-N110 PolarHBondContact N-OD1 3.38Å; R54-N110 PolarHBondContact O-ND2 3.13Å |
| 55 | G | 90.5 | Very high | 85.6 | Confident | 27 Ų | 27 | 89.3 Ų | 89.3 | 28% | 0.278 | 45% | 0.45 | S | S | . | . | S | Bend | trans | 75.2 | -12 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | E68 H94 | G55-E68 PolarHBondContact O-N 3.35Å; G55-H94 VanDerWaalsContact CA-CD2 3.49Å; G55-H94 WeakPolarHBondContact CA-CD2 3.15Å |
| 56 | V | 93.8 | Very high | 87.1 | Confident | 5 Ų | 5 | 82 Ų | 82 | 3% | 0.03 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.5 | -175 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | H50 F53 R54 W65 A90 A91 | H50-V56 HydrophobicContact CB-CB 3.94Å; H50-V56 HydrophobicContact CB-CG1 3.99Å; H50-V56 PolarHBondContact N-O 3.39Å; F53-V56 HydrophobicContact CB-CB 4.18Å; F53-V56 HydrophobicContact CB-CG2 3.8Å; R54-V56 PolarHBondContact O-N 2.74Å; R54-V56 VanDerWaalsContact O-N 3.08Å; V56-W65 HydrophobicContact CG1-CB 4.23Å; V56-W65 HydrophobicContact CG1-CD2 3.98Å; V56-W65 HydrophobicContact CG1-CE3 3.32Å; V56-W65 HydrophobicContact CG1-CG 4.38Å; V56-W65 HydrophobicContact CG1-CZ3 3.94Å; V56-A90 HydrophobicContact CG1-CB 4.05Å; V56-A90 HydrophobicContact CG2-CB 3.8Å; V56-A91 HydrophobicContact CG2-CB 3.96Å |
| 57 | R | 92.9 | Very high | 88.3 | Confident | 78 Ų | 78 | 71.1 Ų | 71.1 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.3 | 172.7 | 71.6 | -176 | -167.8 | -178.9 | 7.8 | 111.1 | T48 W65 V66 E68 | T48-R57 CarbonylContact O-C 3.54Å; T48-R57 WeakPolarHBondContact O-CA 3.42Å; R57-W65 CarbonylContact O-C 3.36Å; R57-W65 WeakPolarHBondContact O-CA 3.19Å; R57-V66 HydrophobicContact CG-CB 3.77Å; R57-V66 HydrophobicContact CG-CG1 4.43Å; R57-V66 PolarHBondContact N-O 3.21Å; R57-V66 PolarHBondContact O-N 3.16Å; R57-E68 IonicContact CZ-OE2 3.13Å; R57-E68 IonicContact NE-OE2 2.66Å; R57-E68 IonicContact NH1-OE2 3.36Å; R57-E68 PolarHBondContact NH1-OE2 3.18Å |
| 58 | R | 91 | Very high | 89.2 | Confident | 140 Ų | 140 | 67.9 Ų | 67.9 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126.6 | 172.9 | -138.1 | 170.2 | 74.5 | 178.9 | 5.8 | 109.5 | T48 R64 W65 | T48-R58 WeakPolarHBondContact CB-O 3.3Å; T48-R58 PolarHBondContact O-N 3.16Å; R58-R64 WeakPolarHBondContact CA-O 3.29Å; R58-W65 HydrophobicContact CB-CE3 4Å; R58-W65 HydrophobicContact CB-CH2 4.4Å; R58-W65 HydrophobicContact CB-CZ3 3.86Å; R58-W65 HydrophobicContact CG-CD2 4.19Å; R58-W65 HydrophobicContact CG-CE3 3.97Å; R58-W65 HydrophobicContact CG-CH2 4.15Å; R58-W65 HydrophobicContact CG-CZ2 4.3Å; R58-W65 HydrophobicContact CG-CZ3 3.98Å |
| 59 | R | 88.2 | Confident | 89.5 | Confident | 163 Ų | 163 | 64.7 Ų | 64.7 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.6 | 177.3 | -170.7 | 176.3 | -172.2 | -147.5 | 0.9 | 110.2 | R64 V66 | R59-R64 PolarHBondContact N-O 2.98Å; R59-V66 HydrophobicContact CB-CG2 3.5Å; R59-V66 VanDerWaalsContact CB-CG2 3.5Å; R59-V66 HydrophobicContact CG-CG2 4.46Å |
| 60 | G | 82.2 | Confident | 89.6 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 63% | 0.629 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 179.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A62 | G60-A62 VanDerWaalsContact C-N 3.34Š|
| 61 | S | 78.1 | Confident | 89.7 | Confident | 135 Ų | 135 | 63.8 Ų | 63.8 | 94% | 0.944 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -22.7 | 172.3 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | G63 | S61-G63 PolarHBondContact O-N 3.13Š|
| 62 | A | 81.8 | Confident | 89.7 | Confident | 81 Ų | 81 | 62.6 Ų | 62.6 | 67% | 0.669 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -4.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G60 R64 | G60-A62 VanDerWaalsContact C-N 3.34Å; A62-R64 HydrophobicContact CB-CG 4.23Å; A62-R64 PolarHBondContact O-N 3.08Å |
| 63 | G | 86.3 | Confident | 89.5 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 5.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | S61 | S61-G63 PolarHBondContact O-N 3.13Š|
| 64 | R | 92.8 | Very high | 89.3 | Confident | 96 Ų | 96 | 69.4 Ų | 69.4 | 36% | 0.362 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 140.8 | -179.8 | -57.5 | -66 | -71.3 | -161.6 | 0 | 111.8 | R58 R59 A62 D85 | R58-R64 WeakPolarHBondContact CA-O 3.29Å; R59-R64 PolarHBondContact N-O 2.98Å; A62-R64 HydrophobicContact CB-CG 4.23Å; A62-R64 PolarHBondContact O-N 3.08Å; R64-D85 VanDerWaalsContact CZ-CG 3.46Å; R64-D85 IonicContact CZ-OD1 3.36Å; R64-D85 IonicContact CZ-OD2 2.61Å; R64-D85 IonicContact NE-OD1 3.58Å; R64-D85 IonicContact NH1-OD1 2.68Å; R64-D85 PolarHBondContact NH1-OD1 3.05Å; R64-D85 IonicContact NH1-OD2 2.88Å; R64-D85 PolarHBondContact NH1-OD2 2.8Å; R64-D85 IonicContact NH2-OD1 3.89Å; R64-D85 PolarHBondContact NH2-OD1 3.05Å; R64-D85 IonicContact NH2-OD2 2.81Å |
| 65 | W | 94.3 | Very high | 89.1 | Confident | 45 Ų | 45 | 76.3 Ų | 76.3 | 17% | 0.17 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 144.3 | 173.8 | -60.7 | 97.1 | 0 | 0 | 0 | 109.9 | H50 V56 R57 R58 T83 F84 T86 A87 A90 | H50-W65 HydrophobicContact CB-CZ3 4.09Å; H50-W65 AromaticContact CD2-CH2 3.52Å; H50-W65 AromaticContact CD2-CZ3 3.71Å; V56-W65 HydrophobicContact CG1-CB 4.23Å; V56-W65 HydrophobicContact CG1-CD2 3.98Å; V56-W65 HydrophobicContact CG1-CE3 3.32Å; V56-W65 HydrophobicContact CG1-CG 4.38Å; V56-W65 HydrophobicContact CG1-CZ3 3.94Å; R57-W65 CarbonylContact O-C 3.36Å; R57-W65 WeakPolarHBondContact O-CA 3.19Å; R58-W65 HydrophobicContact CB-CE3 4Å; R58-W65 HydrophobicContact CB-CH2 4.4Å; R58-W65 HydrophobicContact CB-CZ3 3.86Å; R58-W65 HydrophobicContact CG-CD2 4.19Å; R58-W65 HydrophobicContact CG-CE3 3.97Å; R58-W65 HydrophobicContact CG-CH2 4.15Å; R58-W65 HydrophobicContact CG-CZ2 4.3Å; R58-W65 HydrophobicContact CG-CZ3 3.98Å; W65-T83 CarbonylContact O-C 3.58Å; W65-T83 VanDerWaalsContact O-CA 3.23Å; W65-T83 WeakPolarHBondContact O-CA 3.45Å; W65-F84 PolarHBondContact N-O 3.08Å; W65-F84 PolarHBondContact O-N 3.15Å; W65-T86 VanDerWaalsContact CD1-C 3.45Å; W65-A87 HydrophobicContact CD2-CB 3.93Å; W65-A87 HydrophobicContact CE3-CB 4.47Å; W65-A87 HydrophobicContact CG-CB 4.25Å; W65-A87 HydrophobicContact CZ2-CB 4.01Å; W65-A90 HydrophobicContact CB-CB 3.99Å |
| 66 | V | 94.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.006 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.5 | 179.7 | -176 | 0 | 0 | 0 | 0 | 107.2 | R57 R59 W80 T83 | R57-V66 HydrophobicContact CG-CB 3.77Å; R57-V66 HydrophobicContact CG-CG1 4.43Å; R57-V66 PolarHBondContact N-O 3.21Å; R57-V66 PolarHBondContact O-N 3.16Å; R59-V66 HydrophobicContact CB-CG2 3.5Å; R59-V66 VanDerWaalsContact CB-CG2 3.5Å; R59-V66 HydrophobicContact CG-CG2 4.46Å; V66-W80 VanDerWaalsContact CG1-NE1 3.28Å; V66-T83 HydrophobicContact CG1-CG2 4.4Å; V66-T83 HydrophobicContact CG2-CG2 3.81Å |
| 67 | C | 94.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127 | 176.6 | -166.1 | 0 | 0 | 0 | 0 | 110.9 | L81 G82 F84 A90 A93 | C67-L81 HydrophobicContact CB-CB 4.31Å; C67-L81 HydrophobicContact CB-CD1 4.37Å; C67-L81 PolarHBondContact O-N 3.09Å; C67-L81 VanDerWaalsContact O-N 3.1Å; C67-G82 PolarHBondContact N-O 3.1Å; C67-G82 VanDerWaalsContact N-O 3.11Å; C67-F84 HydrophobicContact CB-CD2 4.2Å; C67-F84 HydrophobicContact CB-CE2 3.8Å; C67-A90 HydrophobicContact CB-CB 4.28Å; C67-A90 PolarHBondContact SG-O 3.46Å; C67-A93 HydrophobicContact CB-CB 4.42Å |
| 68 | E | 93.3 | Very high | 88.9 | Confident | 40 Ų | 40 | 83.1 Ų | 83.1 | 19% | 0.187 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 141.2 | 171.3 | 67.8 | 176.7 | -138 | 0 | 0 | 110.8 | G55 R57 R78 L79 | G55-E68 PolarHBondContact O-N 3.35Å; R57-E68 IonicContact CZ-OE2 3.13Å; R57-E68 IonicContact NE-OE2 2.66Å; R57-E68 IonicContact NH1-OE2 3.36Å; R57-E68 PolarHBondContact NH1-OE2 3.18Å; E68-R78 IonicContact OE1-NH1 3.24Å; E68-R78 PolarHBondContact OE1-NH1 3.31Å; E68-R78 VanDerWaalsContact OE1-NH1 3.13Å; E68-L79 CarbonylContact C-O 3.52Å; E68-L79 WeakPolarHBondContact CA-O 3.23Å |
| 69 | V | 92.5 | Very high | 89 | Confident | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.018 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.6 | 179 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | R78 L79 L81 H94 A97 M98 L101 | V69-R78 WeakPolarHBondContact O-CA 3.28Å; V69-L79 PolarHBondContact N-O 3.24Å; V69-L79 PolarHBondContact O-N 3.48Å; V69-L81 HydrophobicContact CB-CD1 4.49Å; V69-L81 HydrophobicContact CG2-CD1 3.59Å; V69-L81 HydrophobicContact CG2-CG 4.41Å; V69-H94 VanDerWaalsContact CG2-CD2 3.43Å; V69-H94 WeakPolarHBondContact CG2-CD2 3.38Å; V69-A97 HydrophobicContact CG2-CB 3.91Å; V69-M98 HydrophobicContact CG1-SD 3.96Å; V69-L101 HydrophobicContact CG1-CD1 3.83Å |
| 70 | R | 91.5 | Very high | 89.2 | Confident | 137 Ų | 137 | 74.9 Ų | 74.9 | 52% | 0.517 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.2 | 167.7 | -74.4 | -177.4 | 173.6 | 72.3 | 6.5 | 108.2 | P72 | R70-P72 WeakPolarHBondContact O-CD 3.26Å |
| 71 | V | 89.8 | Confident | 89.8 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -72 | 120.6 | -178.7 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | R74 C77 L79 L101 L127 | V71-R74 HydrophobicContact CB-CB 4.39Å; V71-R74 HydrophobicContact CG1-CB 4.22Å; V71-R74 HydrophobicContact CG1-CG 4.42Å; V71-R74 PolarHBondContact O-N 3.43Å; V71-C77 HydrophobicContact CB-CB 4.29Å; V71-C77 HydrophobicContact CG2-CB 4.39Å; V71-C77 PolarHBondContact N-O 2.84Å; V71-L79 HydrophobicContact CG2-CB 4.31Å; V71-L101 HydrophobicContact CG1-CD2 4.29Å; V71-L101 HydrophobicContact CG2-CD1 4.32Å; V71-L127 HydrophobicContact CG2-CD2 3.89Å |
| 72 | P | 85.5 | Confident | 90.5 | Very high | 70 Ų | 70 | 67.4 Ų | 67.4 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 143.2 | 174.8 | 26.8 | -32.6 | 0 | 0 | 0 | 109.9 | R70 R74 L101 | R70-P72 WeakPolarHBondContact O-CD 3.26Å; P72-R74 VanDerWaalsContact C-N 3.25Å; P72-R74 PolarHBondContact O-N 2.88Å; P72-R74 VanDerWaalsContact O-N 3.16Å; P72-L101 HydrophobicContact CG-CB 4.4Å |
| 73 | G | 85.2 | Confident | 91.1 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 92% | 0.918 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -24.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 74 | R | 86.1 | Confident | 91.5 | Very high | 136 Ų | 136 | 66.7 Ų | 66.7 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -103.4 | 104.8 | 177.1 | -70.8 | -161.6 | -93 | -109.4 | 1.5 | 112.2 | V71 P72 G76 C77 | V71-R74 HydrophobicContact CB-CB 4.39Å; V71-R74 HydrophobicContact CG1-CB 4.22Å; V71-R74 HydrophobicContact CG1-CG 4.42Å; V71-R74 PolarHBondContact O-N 3.43Å; P72-R74 VanDerWaalsContact C-N 3.25Å; P72-R74 PolarHBondContact O-N 2.88Å; P72-R74 VanDerWaalsContact O-N 3.16Å; R74-G76 PolarHBondContact O-N 3.13Å; R74-C77 HydrophobicContact CB-CB 3.72Å; R74-C77 PolarHBondContact O-N 2.86Å |
| 75 | R | 87.5 | Confident | 91.5 | Very high | 253 Ų | 253 | 67.2 Ų | 67.2 | 96% | 0.955 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 125 | 177.9 | -67.6 | -166.2 | -71.1 | -112.7 | 2.5 | 110.9 | C77 | R75-C77 VanDerWaalsContact C-N 3.29Å; R75-C77 PolarHBondContact O-N 2.8Å |
| 76 | G | 88.5 | Confident | 91.5 | Very high | 79 Ų | 79 | 68.2 Ų | 68.2 | 81% | 0.814 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -6.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R74 | R74-G76 PolarHBondContact O-N 3.13Š|
| 77 | C | 91.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 68.9 Ų | 68.9 | 25% | 0.25 | 36% | 0.364 | C | S | . | . | trans | -80.7 | 126.2 | 179.1 | -171.9 | 0 | 0 | 0 | 0 | 111 | V71 R74 R75 | V71-C77 HydrophobicContact CB-CB 4.29Å; V71-C77 HydrophobicContact CG2-CB 4.39Å; V71-C77 PolarHBondContact N-O 2.84Å; R74-C77 HydrophobicContact CB-CB 3.72Å; R74-C77 PolarHBondContact O-N 2.86Å; R75-C77 VanDerWaalsContact C-N 3.29Å; R75-C77 PolarHBondContact O-N 2.8Å | ||
| 78 | R | 92 | Very high | 91.4 | Very high | 138 Ų | 138 | 72.2 Ų | 72.2 | 52% | 0.521 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.1 | 174.4 | -61.1 | -173.4 | -173.3 | -154.8 | 12.6 | 109.6 | E68 V69 | E68-R78 IonicContact OE1-NH1 3.24Å; E68-R78 PolarHBondContact OE1-NH1 3.31Å; E68-R78 VanDerWaalsContact OE1-NH1 3.13Å; V69-R78 WeakPolarHBondContact O-CA 3.28Å |
| 79 | L | 93 | Very high | 91.5 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 111.9 | 175.3 | -170.7 | 63.6 | 0 | 0 | 0 | 108.7 | E68 V69 V71 L81 L127 V130 R131 | E68-L79 CarbonylContact C-O 3.52Å; E68-L79 WeakPolarHBondContact CA-O 3.23Å; V69-L79 PolarHBondContact N-O 3.24Å; V69-L79 PolarHBondContact O-N 3.48Å; V71-L79 HydrophobicContact CG2-CB 4.31Å; L79-L81 HydrophobicContact CD2-CD2 3.6Å; L79-L81 HydrophobicContact CG-CD2 3.89Å; L79-L127 HydrophobicContact CD1-CB 4.04Å; L79-L127 HydrophobicContact CD1-CD2 4.47Å; L79-L127 HydrophobicContact CD2-CD2 4.41Å; L79-V130 HydrophobicContact CD2-CB 4.18Å; L79-V130 HydrophobicContact CD2-CG1 3.65Å; L79-R131 HydrophobicContact CD1-CG 3.85Å; L79-R131 VanDerWaalsContact CD1-NE 3.29Å; L79-R131 HydrophobicContact CD2-CG 4.37Å; L79-R131 HydrophobicContact CG-CG 4.24Å |
| 80 | W | 92.9 | Very high | 91.6 | Very high | 128 Ų | 128 | 70.2 Ų | 70.2 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 122.1 | 163.9 | -177.5 | 41.5 | 0 | 0 | 0 | 108.5 | V66 G82 T83 R131 | V66-W80 VanDerWaalsContact CG1-NE1 3.28Å; W80-G82 PolarHBondContact NE1-O 3.02Å; W80-T83 HydrophobicContact CZ2-CG2 3.94Å; W80-R131 PolarHBondContact O-NE 3.46Å; W80-R131 PolarHBondContact O-NH2 3.06Å |
| 81 | L | 94 | Very high | 91.8 | Very high | 24 Ų | 24 | 63.7 Ų | 63.7 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -42.6 | -175.8 | -66.1 | 173 | 0 | 0 | 0 | 111.7 | C67 V69 L79 A93 A97 V134 | C67-L81 HydrophobicContact CB-CB 4.31Å; C67-L81 HydrophobicContact CB-CD1 4.37Å; C67-L81 PolarHBondContact O-N 3.09Å; C67-L81 VanDerWaalsContact O-N 3.1Å; V69-L81 HydrophobicContact CB-CD1 4.49Å; V69-L81 HydrophobicContact CG2-CD1 3.59Å; V69-L81 HydrophobicContact CG2-CG 4.41Å; L79-L81 HydrophobicContact CD2-CD2 3.6Å; L79-L81 HydrophobicContact CG-CD2 3.89Å; L81-A93 HydrophobicContact CD1-CB 4.47Å; L81-A93 WeakPolarHBondContact CD1-O 3.33Å; L81-A97 HydrophobicContact CD1-CB 3.57Å; L81-A97 HydrophobicContact CD2-CB 3.86Å; L81-A97 HydrophobicContact CG-CB 4.35Å; L81-V134 HydrophobicContact CD1-CG1 4.41Å; L81-V134 HydrophobicContact CD2-CB 4.43Å; L81-V134 HydrophobicContact CD2-CG1 4.24Å; L81-V134 HydrophobicContact CD2-CG2 4.26Å |
| 82 | G | 93.4 | Very high | 92 | Very high | 15 Ų | 15 | 63.4 Ų | 63.4 | 16% | 0.155 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -172.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C67 W80 | C67-G82 PolarHBondContact N-O 3.1Å; C67-G82 VanDerWaalsContact N-O 3.11Å; W80-G82 PolarHBondContact NE1-O 3.02Å |
| 83 | T | 94.4 | Very high | 92.4 | Very high | 67 Ų | 67 | 60.1 Ų | 60.1 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.9 | 171 | 59.3 | 0 | 0 | 0 | 0 | 110 | W65 V66 W80 | W65-T83 CarbonylContact O-C 3.58Å; W65-T83 VanDerWaalsContact O-CA 3.23Å; W65-T83 WeakPolarHBondContact O-CA 3.45Å; V66-T83 HydrophobicContact CG1-CG2 4.4Å; V66-T83 HydrophobicContact CG2-CG2 3.81Å; W80-T83 HydrophobicContact CZ2-CG2 3.94Å |
| 84 | F | 94.3 | Very high | 92.9 | Very high | 29 Ų | 29 | 56.8 Ų | 56.8 | 13% | 0.127 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.3 | -173.7 | -55.4 | -84.3 | 0 | 0 | 0 | 110.9 | W65 C67 A89 A90 A93 V138 | W65-F84 PolarHBondContact N-O 3.08Å; W65-F84 PolarHBondContact O-N 3.15Å; C67-F84 HydrophobicContact CB-CD2 4.2Å; C67-F84 HydrophobicContact CB-CE2 3.8Å; F84-A89 HydrophobicContact CB-CB 4.15Å; F84-A89 HydrophobicContact CD1-CB 4.08Å; F84-A89 HydrophobicContact CG-CB 4.31Å; F84-A90 HydrophobicContact CB-CB 4.08Å; F84-A90 VanDerWaalsContact CD2-CA 3.47Å; F84-A90 HydrophobicContact CD2-CB 3.66Å; F84-A90 HydrophobicContact CG-CB 4.15Å; F84-A93 HydrophobicContact CE1-CB 4.26Å; F84-A93 HydrophobicContact CE2-CB 3.59Å; F84-A93 HydrophobicContact CZ-CB 3.42Å; F84-A93 VanDerWaalsContact CZ-CB 3.42Å; F84-V138 HydrophobicContact CD1-CG1 4.2Å; F84-V138 HydrophobicContact CE1-CB 4.46Å; F84-V138 HydrophobicContact CE1-CG1 3.74Å |
| 85 | D | 92.9 | Very high | 93.2 | Very high | 108 Ų | 108 | 50.3 Ų | 50.3 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -80.3 | -40.1 | -177.3 | -63.5 | 39.5 | 0 | 0 | 0 | 110.2 | R64 | R64-D85 VanDerWaalsContact CZ-CG 3.46Å; R64-D85 IonicContact CZ-OD1 3.36Å; R64-D85 IonicContact CZ-OD2 2.61Å; R64-D85 IonicContact NE-OD1 3.58Å; R64-D85 IonicContact NH1-OD1 2.68Å; R64-D85 PolarHBondContact NH1-OD1 3.05Å; R64-D85 IonicContact NH1-OD2 2.88Å; R64-D85 PolarHBondContact NH1-OD2 2.8Å; R64-D85 IonicContact NH2-OD1 3.89Å; R64-D85 PolarHBondContact NH2-OD1 3.05Å; R64-D85 IonicContact NH2-OD2 2.81Å |
| 86 | T | 93.8 | Very high | 93.5 | Very high | 66 Ų | 66 | 38.3 Ų | 38.3 | 41% | 0.405 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -103.4 | 148.4 | 179.3 | 66.9 | 0 | 0 | 0 | 0 | 111.1 | W65 E88 A89 A90 | W65-T86 VanDerWaalsContact CD1-C 3.45Å; T86-E88 PolarHBondContact O-N 2.77Å; T86-A89 WeakPolarHBondContact OG1-CB 3.45Å; T86-A89 PolarHBondContact OG1-N 3.03Å; T86-A90 PolarHBondContact O-N 2.94Å |
| 87 | A | 93.6 | Very high | 93.7 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.3 | -31.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F53 W65 A91 | F53-A87 HydrophobicContact CD2-CB 4.07Å; F53-A87 HydrophobicContact CE2-CB 4.11Å; W65-A87 HydrophobicContact CD2-CB 3.93Å; W65-A87 HydrophobicContact CE3-CB 4.47Å; W65-A87 HydrophobicContact CG-CB 4.25Å; W65-A87 HydrophobicContact CZ2-CB 4.01Å; A87-A91 WeakPolarHBondContact O-CB 3.33Å; A87-A91 PolarHBondContact O-N 3.08Å |
| 88 | E | 93.9 | Very high | 93.7 | Very high | 69 Ų | 69 | 34.4 Ų | 34.4 | 32% | 0.322 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.6 | -50.5 | 178.1 | -175.7 | 174.1 | -179.1 | 0 | 0 | 111.8 | T86 A90 A91 R92 F111 | T86-E88 PolarHBondContact O-N 2.77Å; E88-A90 VanDerWaalsContact C-N 3.27Å; E88-A90 PolarHBondContact O-N 3Å; E88-A91 CarbonylContact O-C 3.46Å; E88-A91 WeakPolarHBondContact O-CA 3.37Å; E88-A91 WeakPolarHBondContact O-CB 3.49Å; E88-A91 PolarHBondContact O-N 3.09Å; E88-R92 HydrophobicContact CG-CG 4.47Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.96Å; E88-R92 IonicContact OE1-NH2 3.94Å; E88-F111 HydrophobicContact CB-CZ 4.46Å; E88-F111 HydrophobicContact CG-CE1 4.27Å; E88-F111 HydrophobicContact CG-CE2 4.45Å; E88-F111 HydrophobicContact CG-CZ 3.76Å |
| 89 | A | 94.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.017 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.5 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | F84 T86 A91 R92 A93 V138 L142 | F84-A89 HydrophobicContact CB-CB 4.15Å; F84-A89 HydrophobicContact CD1-CB 4.08Å; F84-A89 HydrophobicContact CG-CB 4.31Å; T86-A89 WeakPolarHBondContact OG1-CB 3.45Å; T86-A89 PolarHBondContact OG1-N 3.03Å; A89-A91 VanDerWaalsContact C-N 3.32Å; A89-A91 PolarHBondContact O-N 3.06Å; A89-R92 PolarHBondContact O-N 3.34Å; A89-A93 WeakPolarHBondContact O-CB 3.45Å; A89-A93 PolarHBondContact O-N 2.93Å; A89-V138 HydrophobicContact CB-CG1 4.35Å; A89-L142 HydrophobicContact CB-CD2 4.27Å |
| 90 | A | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V56 W65 C67 F84 T86 E88 H94 | V56-A90 HydrophobicContact CG1-CB 4.05Å; V56-A90 HydrophobicContact CG2-CB 3.8Å; W65-A90 HydrophobicContact CB-CB 3.99Å; C67-A90 HydrophobicContact CB-CB 4.28Å; C67-A90 PolarHBondContact SG-O 3.46Å; F84-A90 HydrophobicContact CB-CB 4.08Å; F84-A90 VanDerWaalsContact CD2-CA 3.47Å; F84-A90 HydrophobicContact CD2-CB 3.66Å; F84-A90 HydrophobicContact CG-CB 4.15Å; T86-A90 PolarHBondContact O-N 2.94Å; E88-A90 VanDerWaalsContact C-N 3.27Å; E88-A90 PolarHBondContact O-N 3Å; A90-H94 PolarHBondContact O-N 3.14Å; A90-H94 VanDerWaalsContact O-N 3.15Å |
| 91 | A | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.4 | -36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F53 V56 A87 E88 A89 H94 D95 N110 F111 | F53-A91 HydrophobicContact CB-CB 3.79Å; F53-A91 HydrophobicContact CD1-CB 3.82Å; F53-A91 HydrophobicContact CD2-CB 4.2Å; F53-A91 HydrophobicContact CE1-CB 4.47Å; F53-A91 HydrophobicContact CG-CB 3.67Å; V56-A91 HydrophobicContact CG2-CB 3.96Å; A87-A91 WeakPolarHBondContact O-CB 3.33Å; A87-A91 PolarHBondContact O-N 3.08Å; E88-A91 CarbonylContact O-C 3.46Å; E88-A91 WeakPolarHBondContact O-CA 3.37Å; E88-A91 WeakPolarHBondContact O-CB 3.49Å; E88-A91 PolarHBondContact O-N 3.09Å; A89-A91 VanDerWaalsContact C-N 3.32Å; A89-A91 PolarHBondContact O-N 3.06Å; A91-H94 WeakPolarHBondContact O-CB 3.48Å; A91-H94 PolarHBondContact O-N 3.47Å; A91-D95 PolarHBondContact O-N 2.9Å; A91-N110 HydrophobicContact CB-CB 4.19Å; A91-N110 PolarHBondContact O-ND2 3.29Å; A91-N110 VanDerWaalsContact O-ND2 3.14Å; A91-F111 HydrophobicContact CB-CE2 3.44Å; A91-F111 VanDerWaalsContact CB-CE2 3.44Å; A91-F111 HydrophobicContact CB-CZ 3.82Å |
| 92 | R | 94.3 | Very high | 93 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 171.9 | -66.7 | -67.6 | -179.2 | 176.9 | 4.3 | 111.6 | E88 A89 H94 D95 A96 F111 D113 S114 L118 F141 | E88-R92 HydrophobicContact CG-CG 4.47Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.96Å; E88-R92 IonicContact OE1-NH2 3.94Å; A89-R92 PolarHBondContact O-N 3.34Å; R92-H94 VanDerWaalsContact C-N 3.26Å; R92-H94 PolarHBondContact O-N 3.16Å; R92-D95 PolarHBondContact O-N 3.4Å; R92-D95 VanDerWaalsContact O-N 3.09Å; R92-A96 PolarHBondContact O-N 3.32Å; R92-F111 HydrophobicContact CG-CD2 4.26Å; R92-F111 HydrophobicContact CG-CE2 3.94Å; R92-F111 VanDerWaalsContact CZ-CG 3.43Å; R92-D113 IonicContact CZ-OD1 3.49Å; R92-D113 VanDerWaalsContact CZ-OD1 3.29Å; R92-D113 IonicContact CZ-OD2 4Å; R92-D113 IonicContact NH1-OD1 3.42Å; R92-D113 PolarHBondContact NH1-OD1 3.46Å; R92-D113 IonicContact NH1-OD2 2.72Å; R92-D113 PolarHBondContact NH1-OD2 3.36Å; R92-D113 IonicContact NH2-OD1 2.73Å; R92-D113 PolarHBondContact NH2-OD1 3.17Å; R92-D113 IonicContact NH2-OD2 3.03Å; R92-D113 PolarHBondContact NH2-OD2 3.43Å; R92-S114 PolarHBondContact NH1-OG 2.83Å; R92-L118 HydrophobicContact CB-CD1 4.43Å; R92-F141 HydrophobicContact CG-CD1 4.36Å; R92-F141 HydrophobicContact CG-CE1 3.96Å; R92-F141 HydrophobicContact CG-CZ 4.01Å |
| 93 | A | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.6 | -39.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C67 L81 F84 A89 A97 V134 V138 | C67-A93 HydrophobicContact CB-CB 4.42Å; L81-A93 HydrophobicContact CD1-CB 4.47Å; L81-A93 WeakPolarHBondContact CD1-O 3.33Å; F84-A93 HydrophobicContact CE1-CB 4.26Å; F84-A93 HydrophobicContact CE2-CB 3.59Å; F84-A93 HydrophobicContact CZ-CB 3.42Å; F84-A93 VanDerWaalsContact CZ-CB 3.42Å; A89-A93 WeakPolarHBondContact O-CB 3.45Å; A89-A93 PolarHBondContact O-N 2.93Å; A93-A97 WeakPolarHBondContact O-CB 3.46Å; A93-A97 PolarHBondContact O-N 3.47Å; A93-V134 HydrophobicContact CB-CG1 3.81Å; A93-V134 WeakPolarHBondContact O-CG1 3.36Å; A93-V138 HydrophobicContact CB-CG2 3.78Å |
| 94 | H | 94.5 | Very high | 91.3 | Very high | 20 Ų | 20 | 26.8 Ų | 26.8 | 9% | 0.093 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -44.7 | 174.3 | -178.7 | -83 | 0 | 0 | 0 | 111.4 | G55 V69 A90 A91 R92 A97 M98 | G55-H94 VanDerWaalsContact CA-CD2 3.49Å; G55-H94 WeakPolarHBondContact CA-CD2 3.15Å; V69-H94 VanDerWaalsContact CG2-CD2 3.43Å; V69-H94 WeakPolarHBondContact CG2-CD2 3.38Å; A90-H94 PolarHBondContact O-N 3.14Å; A90-H94 VanDerWaalsContact O-N 3.15Å; A91-H94 WeakPolarHBondContact O-CB 3.48Å; A91-H94 PolarHBondContact O-N 3.47Å; R92-H94 VanDerWaalsContact C-N 3.26Å; R92-H94 PolarHBondContact O-N 3.16Å; H94-A97 PolarHBondContact O-N 3.37Å; H94-M98 WeakPolarHBondContact O-CG 3.45Å; H94-M98 PolarHBondContact O-N 3.06Å |
| 95 | D | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.6 | -45.6 | 180 | -69.9 | -0.2 | 0 | 0 | 0 | 111.5 | A91 R92 A97 M98 L99 L109 N110 F111 S114 L118 | A91-D95 PolarHBondContact O-N 2.9Å; R92-D95 PolarHBondContact O-N 3.4Å; R92-D95 VanDerWaalsContact O-N 3.09Å; D95-A97 VanDerWaalsContact C-N 3.3Å; D95-A97 PolarHBondContact O-N 3.42Å; D95-M98 PolarHBondContact O-N 2.69Å; D95-M98 VanDerWaalsContact O-N 3.16Å; D95-L99 WeakPolarHBondContact O-CG 3.34Å; D95-L99 PolarHBondContact O-N 2.66Å; D95-L109 HydrophobicContact CB-CD2 4.04Å; D95-N110 WeakPolarHBondContact OD1-CB 3.48Å; D95-N110 PolarHBondContact OD1-N 3.33Å; D95-N110 PolarHBondContact OD1-ND2 3.47Å; D95-N110 WeakPolarHBondContact OD2-CB 3.41Å; D95-N110 PolarHBondContact OD2-N 3.44Å; D95-F111 WeakPolarHBondContact OD2-CD2 3.35Å; D95-F111 PolarHBondContact OD2-N 3.33Å; D95-S114 WeakPolarHBondContact CB-OG 3.49Å; D95-S114 WeakPolarHBondContact OD2-CB 3.48Å; D95-S114 PolarHBondContact OD2-OG 2.99Å; D95-L118 HydrophobicContact CB-CD1 4.3Å |
| 96 | A | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.7 | -44.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R92 M98 L99 A100 L118 V120 V134 | R92-A96 PolarHBondContact O-N 3.32Å; A96-M98 PolarHBondContact O-N 3.19Å; A96-L99 PolarHBondContact O-N 3.22Å; A96-A100 WeakPolarHBondContact O-CB 3.33Å; A96-A100 PolarHBondContact O-N 3.12Å; A96-L118 HydrophobicContact CB-CD1 3.98Å; A96-V120 HydrophobicContact CB-CG2 3.74Å; A96-V134 HydrophobicContact CB-CB 4.42Å; A96-V134 HydrophobicContact CB-CG1 4.35Å; A96-V134 HydrophobicContact CB-CG2 3.87Å |
| 97 | A | 93.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -36.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V69 L81 A93 H94 D95 A100 L101 V130 V134 | V69-A97 HydrophobicContact CG2-CB 3.91Å; L81-A97 HydrophobicContact CD1-CB 3.57Å; L81-A97 HydrophobicContact CD2-CB 3.86Å; L81-A97 HydrophobicContact CG-CB 4.35Å; A93-A97 WeakPolarHBondContact O-CB 3.46Å; A93-A97 PolarHBondContact O-N 3.47Å; H94-A97 PolarHBondContact O-N 3.37Å; D95-A97 VanDerWaalsContact C-N 3.3Å; D95-A97 PolarHBondContact O-N 3.42Å; A97-A100 PolarHBondContact O-N 3.43Å; A97-L101 VanDerWaalsContact O-CB 3.29Å; A97-L101 WeakPolarHBondContact O-CB 3.03Å; A97-L101 WeakPolarHBondContact O-CG 3.47Å; A97-L101 PolarHBondContact O-N 2.86Å; A97-V130 HydrophobicContact CB-CG1 4.37Å; A97-V134 HydrophobicContact CB-CG2 3.77Å |
| 98 | M | 90.8 | Very high | 87.1 | Confident | 35 Ų | 35 | 26.4 Ų | 26.4 | 17% | 0.172 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 175.7 | -72.7 | -59.9 | -58.4 | 0 | 0 | 111.5 | V69 H94 D95 A96 L101 A102 A106 L109 | V69-M98 HydrophobicContact CG1-SD 3.96Å; H94-M98 WeakPolarHBondContact O-CG 3.45Å; H94-M98 PolarHBondContact O-N 3.06Å; D95-M98 PolarHBondContact O-N 2.69Å; D95-M98 VanDerWaalsContact O-N 3.16Å; A96-M98 PolarHBondContact O-N 3.19Å; M98-L101 PolarHBondContact O-N 2.87Å; M98-A102 WeakPolarHBondContact O-CB 3.45Å; M98-A102 PolarHBondContact O-N 2.94Å; M98-A106 HydrophobicContact CB-CB 4.32Å; M98-L109 HydrophobicContact CB-CD2 4.19Å |
| 99 | L | 90.7 | Very high | 86.9 | Confident | 22 Ų | 22 | 23.1 Ų | 23.1 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 172.9 | -69.7 | 167.5 | 0 | 0 | 0 | 111.1 | D95 A96 L101 G103 A106 L109 V120 | D95-L99 WeakPolarHBondContact O-CG 3.34Å; D95-L99 PolarHBondContact O-N 2.66Å; A96-L99 PolarHBondContact O-N 3.22Å; L99-L101 PolarHBondContact O-N 3.21Å; L99-G103 WeakPolarHBondContact O-CA 3.27Å; L99-G103 PolarHBondContact O-N 3.38Å; L99-A106 HydrophobicContact CD2-CB 4.1Å; L99-L109 HydrophobicContact CD2-CD1 4.24Å; L99-L109 HydrophobicContact CD2-CD2 4.42Å; L99-L109 HydrophobicContact CG-CD2 4.21Å; L99-V120 HydrophobicContact CB-CB 4.42Å; L99-V120 HydrophobicContact CB-CG1 4.36Å; L99-V120 HydrophobicContact CB-CG2 4.5Å |
| 100 | A | 91.2 | Very high | 86.7 | Confident | 9 Ų | 9 | 23 Ų | 23 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.3 | -36.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A96 A97 V120 V130 | A96-A100 WeakPolarHBondContact O-CB 3.33Å; A96-A100 PolarHBondContact O-N 3.12Å; A97-A100 PolarHBondContact O-N 3.43Å; A100-V120 HydrophobicContact CB-CG1 3.59Å; A100-V130 HydrophobicContact CB-CB 4.5Å; A100-V130 HydrophobicContact CB-CG1 3.96Å; A100-V130 HydrophobicContact CB-CG2 4.14Å |
| 101 | L | 89.9 | Confident | 86.5 | Confident | 41 Ų | 41 | 24.1 Ų | 24.1 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -87.4 | -35.8 | -174.6 | -71 | 173 | 0 | 0 | 0 | 113.9 | V69 V71 P72 A97 M98 L99 L127 V130 | V69-L101 HydrophobicContact CG1-CD1 3.83Å; V71-L101 HydrophobicContact CG1-CD2 4.29Å; V71-L101 HydrophobicContact CG2-CD1 4.32Å; P72-L101 HydrophobicContact CG-CB 4.4Å; A97-L101 VanDerWaalsContact O-CB 3.29Å; A97-L101 WeakPolarHBondContact O-CB 3.03Å; A97-L101 WeakPolarHBondContact O-CG 3.47Å; A97-L101 PolarHBondContact O-N 2.86Å; M98-L101 PolarHBondContact O-N 2.87Å; L99-L101 PolarHBondContact O-N 3.21Å; L101-L127 HydrophobicContact CD2-CD2 4.09Å; L101-V130 HydrophobicContact CD2-CG1 4.41Å; L101-V130 HydrophobicContact CD2-CG2 3.91Å; L101-V130 HydrophobicContact CG-CG1 4.25Å; L101-V130 HydrophobicContact CG-CG2 4.45Å |
| 102 | A | 85.1 | Confident | 86.1 | Confident | 35 Ų | 35 | 27.1 Ų | 27.1 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -109 | -8.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | M98 A105 A106 | M98-A102 WeakPolarHBondContact O-CB 3.45Å; M98-A102 PolarHBondContact O-N 2.94Å; A102-A105 WeakPolarHBondContact O-CB 3.26Å; A102-A105 PolarHBondContact O-N 3.33Å; A102-A106 HydrophobicContact CB-CB 4.32Å |
| 103 | G | 80.9 | Confident | 85.9 | Confident | 23 Ų | 23 | 29.1 Ų | 29.1 | 24% | 0.237 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | 63.4 | -147.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L99 A105 A106 | L99-G103 WeakPolarHBondContact O-CA 3.27Å; L99-G103 PolarHBondContact O-N 3.38Å; G103-A105 PolarHBondContact O-N 2.77Å; G103-A105 VanDerWaalsContact O-N 3.09Å; G103-A106 WeakPolarHBondContact O-CB 3.29Å; G103-A106 PolarHBondContact O-N 2.69Å; G103-A106 VanDerWaalsContact O-N 3.1Å |
| 104 | A | 70.6 | Confident | 85.6 | Confident | 82 Ų | 82 | 29.1 Ų | 29.1 | 68% | 0.678 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -59.7 | -18.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A106 | A104-A106 PolarHBondContact O-N 3.45Š|
| 105 | A | 68.8 | Low | 85.1 | Confident | 80 Ų | 80 | 30 Ų | 30 | 66% | 0.661 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -79.1 | 11.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | A102 G103 C107 | A102-A105 WeakPolarHBondContact O-CB 3.26Å; A102-A105 PolarHBondContact O-N 3.33Å; G103-A105 PolarHBondContact O-N 2.77Å; G103-A105 VanDerWaalsContact O-N 3.09Å; A105-C107 PolarHBondContact O-N 3.37Å |
| 106 | A | 73.1 | Confident | 84.7 | Confident | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | trans | -61.8 | 85.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | M98 L99 A102 G103 A104 C108 L109 | M98-A106 HydrophobicContact CB-CB 4.32Å; L99-A106 HydrophobicContact CD2-CB 4.1Å; A102-A106 HydrophobicContact CB-CB 4.32Å; G103-A106 WeakPolarHBondContact O-CB 3.29Å; G103-A106 PolarHBondContact O-N 2.69Å; G103-A106 VanDerWaalsContact O-N 3.1Å; A104-A106 PolarHBondContact O-N 3.45Å; A106-C108 PolarHBondContact O-N 3.17Å; A106-C108 VanDerWaalsContact O-N 3.16Å; A106-L109 HydrophobicContact CB-CD2 4.02Å | ||
| 107 | C | 64.1 | Low | 84.3 | Confident | 89 Ų | 89 | 44.3 Ų | 44.3 | 60% | 0.601 | 28% | 0.276 | S | S | * | . | trans | -65.1 | -21.8 | -170.4 | 176.1 | 0 | 0 | 0 | 0 | 113.4 | Q29 A105 | Q29-C107 WeakPolarHBondContact CB-O 3.45Å; A105-C107 PolarHBondContact O-N 3.37Å | ||
| 108 | C | 80.9 | Confident | 84 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 104.2 | -177.8 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | Q29 A106 | Q29-C108 VanDerWaalsContact O-CA 3.3Å; Q29-C108 WeakPolarHBondContact O-CA 3.44Å; A106-C108 PolarHBondContact O-N 3.17Å; A106-C108 VanDerWaalsContact O-N 3.16Å |
| 109 | L | 89.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 160.1 | 171.6 | -58.5 | 179.3 | 0 | 0 | 0 | 110.5 | H28 Q29 T30 V31 D95 M98 L99 A106 F111 A115 | H28-L109 HydrophobicContact CB-CD1 4.29Å; Q29-L109 PolarHBondContact O-N 3Å; Q29-L109 VanDerWaalsContact O-N 3.15Å; T30-L109 CarbonylContact C-O 3.55Å; T30-L109 VanDerWaalsContact CA-O 3.23Å; T30-L109 WeakPolarHBondContact CA-O 3.39Å; V31-L109 PolarHBondContact N-O 2.74Å; V31-L109 VanDerWaalsContact N-O 3.08Å; D95-L109 HydrophobicContact CB-CD2 4.04Å; M98-L109 HydrophobicContact CB-CD2 4.19Å; L99-L109 HydrophobicContact CD2-CD1 4.24Å; L99-L109 HydrophobicContact CD2-CD2 4.42Å; L99-L109 HydrophobicContact CG-CD2 4.21Å; A106-L109 HydrophobicContact CB-CD2 4.02Å; L109-F111 WeakPolarHBondContact CB-O 3.37Å; L109-A115 HydrophobicContact CD1-CB 4.23Å |
| 110 | N | 91.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -73.7 | -40.4 | 171.4 | -68.4 | -59.3 | 0 | 0 | 0 | 110.8 | V31 F53 R54 A91 D95 | V31-N110 HydrophobicContact CG2-CB 4.44Å; V31-N110 VanDerWaalsContact CG2-OD1 3.28Å; V31-N110 WeakPolarHBondContact CG2-OD1 3.4Å; F53-N110 HydrophobicContact CD1-CB 4.25Å; R54-N110 WeakPolarHBondContact CB-OD1 3.43Å; R54-N110 PolarHBondContact N-OD1 3.38Å; R54-N110 PolarHBondContact O-ND2 3.13Å; A91-N110 HydrophobicContact CB-CB 4.19Å; A91-N110 PolarHBondContact O-ND2 3.29Å; A91-N110 VanDerWaalsContact O-ND2 3.14Å; D95-N110 WeakPolarHBondContact OD1-CB 3.48Å; D95-N110 PolarHBondContact OD1-N 3.33Å; D95-N110 PolarHBondContact OD1-ND2 3.47Å; D95-N110 WeakPolarHBondContact OD2-CB 3.41Å; D95-N110 PolarHBondContact OD2-N 3.44Å |
| 111 | F | 90.6 | Very high | 83.2 | Confident | 23 Ų | 23 | 50 Ų | 50 | 10% | 0.101 | 32% | 0.322 | C | S | . | . | trans | -124.7 | 147.4 | -179.6 | -44 | -94.8 | 0 | 0 | 0 | 112.1 | F53 E88 A91 R92 D95 L109 D113 S114 | F53-F111 HydrophobicContact CD1-CZ 4.07Å; F53-F111 AromaticContact CE1-CE1 3.64Å; F53-F111 HydrophobicContact CE1-CE1 3.64Å; F53-F111 HydrophobicContact CE1-CE2 4.42Å; F53-F111 AromaticContact CE1-CZ 3.5Å; F53-F111 HydrophobicContact CE1-CZ 3.5Å; F53-F111 HydrophobicContact CZ-CE1 4.1Å; F53-F111 AromaticContact CZ-CZ 3.94Å; F53-F111 HydrophobicContact CZ-CZ 3.94Å; E88-F111 HydrophobicContact CB-CZ 4.46Å; E88-F111 HydrophobicContact CG-CE1 4.27Å; E88-F111 HydrophobicContact CG-CE2 4.45Å; E88-F111 HydrophobicContact CG-CZ 3.76Å; A91-F111 HydrophobicContact CB-CE2 3.44Å; A91-F111 VanDerWaalsContact CB-CE2 3.44Å; A91-F111 HydrophobicContact CB-CZ 3.82Å; R92-F111 HydrophobicContact CG-CD2 4.26Å; R92-F111 HydrophobicContact CG-CE2 3.94Å; R92-F111 VanDerWaalsContact CZ-CG 3.43Å; D95-F111 WeakPolarHBondContact OD2-CD2 3.35Å; D95-F111 PolarHBondContact OD2-N 3.33Å; L109-F111 WeakPolarHBondContact CB-O 3.37Å; F111-D113 VanDerWaalsContact C-N 3.35Å; F111-D113 WeakPolarHBondContact CB-OD1 3.46Å; F111-S114 PolarHBondContact O-N 3.47Å | ||
| 112 | A | 87 | Confident | 82.6 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -33.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T30 S114 | T30-A112 HydrophobicContact CG2-CB 3.73Å; T30-A112 VanDerWaalsContact CG2-N 3.32Å; A112-S114 VanDerWaalsContact C-N 3.28Å; A112-S114 PolarHBondContact O-N 3.4Å |
| 113 | D | 89.4 | Confident | 82.3 | Confident | 49 Ų | 49 | 55.9 Ų | 55.9 | 26% | 0.262 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -0.9 | 178.9 | 61.1 | -25.6 | 0 | 0 | 0 | 113.1 | R92 F111 A115 W116 L117 | R92-D113 IonicContact CZ-OD1 3.49Å; R92-D113 VanDerWaalsContact CZ-OD1 3.29Å; R92-D113 IonicContact CZ-OD2 4Å; R92-D113 IonicContact NH1-OD1 3.42Å; R92-D113 PolarHBondContact NH1-OD1 3.46Å; R92-D113 IonicContact NH1-OD2 2.72Å; R92-D113 PolarHBondContact NH1-OD2 3.36Å; R92-D113 IonicContact NH2-OD1 2.73Å; R92-D113 PolarHBondContact NH2-OD1 3.17Å; R92-D113 IonicContact NH2-OD2 3.03Å; R92-D113 PolarHBondContact NH2-OD2 3.43Å; F111-D113 VanDerWaalsContact C-N 3.35Å; F111-D113 WeakPolarHBondContact CB-OD1 3.46Å; D113-A115 VanDerWaalsContact C-N 3.29Å; D113-A115 PolarHBondContact O-N 3.01Å; D113-W116 HydrophobicContact CB-CZ2 4.09Å; D113-W116 PolarHBondContact O-NE1 2.73Å; D113-W116 VanDerWaalsContact O-NE1 3.17Å; D113-L117 HydrophobicContact CB-CD1 3.94Å; D113-L117 VanDerWaalsContact O-CB 3.26Å; D113-L117 WeakPolarHBondContact O-CB 3.44Å; D113-L117 WeakPolarHBondContact O-CD1 3.46Å; D113-L117 VanDerWaalsContact O-CG 3.27Å; D113-L117 WeakPolarHBondContact O-CG 3.46Å; D113-L117 PolarHBondContact O-N 3.48Å; D113-L117 WeakPolarHBondContact OD2-CD1 3.43Å |
| 114 | S | 88.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.2 | -33.1 | 176.5 | -69.1 | 0 | 0 | 0 | 0 | 112.2 | R92 D95 F111 A112 W116 L118 | R92-S114 PolarHBondContact NH1-OG 2.83Å; D95-S114 WeakPolarHBondContact CB-OG 3.49Å; D95-S114 WeakPolarHBondContact OD2-CB 3.48Å; D95-S114 PolarHBondContact OD2-OG 2.99Å; F111-S114 PolarHBondContact O-N 3.47Å; A112-S114 VanDerWaalsContact C-N 3.28Å; A112-S114 PolarHBondContact O-N 3.4Å; S114-W116 VanDerWaalsContact C-N 3.34Å; S114-W116 PolarHBondContact O-N 3.24Å; S114-L118 WeakPolarHBondContact O-CB 3Å; S114-L118 WeakPolarHBondContact O-CG 3.27Å; S114-L118 PolarHBondContact O-N 2.67Å |
| 115 | A | 84.8 | Confident | 83.1 | Confident | 37 Ų | 37 | 56.9 Ų | 56.9 | 31% | 0.306 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.4 | -33.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L109 D113 | L109-A115 HydrophobicContact CD1-CB 4.23Å; D113-A115 VanDerWaalsContact C-N 3.29Å; D113-A115 PolarHBondContact O-N 3.01Å |
| 116 | W | 84.4 | Confident | 84.1 | Confident | 212 Ų | 212 | 55.1 Ų | 55.1 | 80% | 0.803 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -100.1 | -16.6 | -178.4 | 59.8 | 14.5 | 0 | 0 | 0 | 114.2 | D113 S114 | D113-W116 HydrophobicContact CB-CZ2 4.09Å; D113-W116 PolarHBondContact O-NE1 2.73Å; D113-W116 VanDerWaalsContact O-NE1 3.17Å; S114-W116 VanDerWaalsContact C-N 3.34Å; S114-W116 PolarHBondContact O-N 3.24Å |
| 117 | L | 85.9 | Confident | 85 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 47% | 0.471 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -94.9 | -32.5 | -173.6 | -78.1 | 175.8 | 0 | 0 | 0 | 110.3 | D113 F141 | D113-L117 HydrophobicContact CB-CD1 3.94Å; D113-L117 VanDerWaalsContact O-CB 3.26Å; D113-L117 WeakPolarHBondContact O-CB 3.44Å; D113-L117 WeakPolarHBondContact O-CD1 3.46Å; D113-L117 VanDerWaalsContact O-CG 3.27Å; D113-L117 WeakPolarHBondContact O-CG 3.46Å; D113-L117 PolarHBondContact O-N 3.48Å; D113-L117 WeakPolarHBondContact OD2-CD1 3.43Å; L117-F141 HydrophobicContact CD1-CE2 4.26Å |
| 118 | L | 86.6 | Confident | 86.3 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -93.7 | 109.8 | -176.7 | -57.2 | 170.8 | 0 | 0 | 0 | 108.3 | R92 D95 A96 S114 V120 A137 F141 | R92-L118 HydrophobicContact CB-CD1 4.43Å; D95-L118 HydrophobicContact CB-CD1 4.3Å; A96-L118 HydrophobicContact CB-CD1 3.98Å; S114-L118 WeakPolarHBondContact O-CB 3Å; S114-L118 WeakPolarHBondContact O-CG 3.27Å; S114-L118 PolarHBondContact O-N 2.67Å; L118-V120 HydrophobicContact CB-CG2 3.95Å; L118-V120 PolarHBondContact O-N 2.87Å; L118-A137 HydrophobicContact CB-CB 4.3Å; L118-A137 HydrophobicContact CD2-CB 4.26Å; L118-F141 HydrophobicContact CD2-CB 4.17Å |
| 119 | A | 83.9 | Confident | 87 | Confident | 87 Ų | 87 | 58.2 Ų | 58.2 | 72% | 0.719 | 37% | 0.371 | S | S | * | . | trans | -74.1 | 75.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 120 | V | 86.8 | Confident | 87.1 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | trans | -94.7 | 132.7 | -179.8 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | A96 L99 A100 L118 A122 A137 | A96-V120 HydrophobicContact CB-CG2 3.74Å; L99-V120 HydrophobicContact CB-CB 4.42Å; L99-V120 HydrophobicContact CB-CG1 4.36Å; L99-V120 HydrophobicContact CB-CG2 4.5Å; A100-V120 HydrophobicContact CB-CG1 3.59Å; L118-V120 HydrophobicContact CB-CG2 3.95Å; L118-V120 PolarHBondContact O-N 2.87Å; V120-A122 PolarHBondContact O-N 2.96Å; V120-A137 HydrophobicContact CG2-CB 4.34Å | ||
| 121 | P | 85 | Confident | 87.3 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | trans | -61 | 138.1 | 175.2 | 26.4 | -34.2 | 0 | 0 | 0 | 110.4 | S123 A133 | P121-S123 PolarHBondContact O-N 2.99Å; P121-S123 VanDerWaalsContact O-N 3.12Å; P121-A133 HydrophobicContact CG-CB 3.78Å | ||
| 122 | A | 77 | Confident | 87.5 | Confident | 98 Ų | 98 | 68.6 Ų | 68.6 | 81% | 0.81 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -63.4 | -20.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V120 | V120-A122 PolarHBondContact O-N 2.96Š|
| 123 | S | 78.9 | Confident | 87.8 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 70% | 0.699 | 39% | 0.394 | S | S | * | . | trans | -145.6 | 123.5 | 177.6 | 60.5 | 0 | 0 | 0 | 0 | 110.9 | P121 | P121-S123 PolarHBondContact O-N 2.99Å; P121-S123 VanDerWaalsContact O-N 3.12Å | ||
| 124 | C | 82.8 | Confident | 88 | Confident | 30 Ų | 30 | 63.9 Ų | 63.9 | 20% | 0.203 | 38% | 0.382 | C | S | . | . | trans | -105.4 | 133.3 | 165.5 | -60.3 | 0 | 0 | 0 | 0 | 109.1 | E129 V130 | C124-E129 HydrophobicContact CB-CB 4.04Å; C124-V130 HydrophobicContact CB-CG2 3.45Å; C124-V130 VanDerWaalsContact CB-CG2 3.45Å | ||
| 125 | A | 84.4 | Confident | 88.3 | Confident | 97 Ų | 97 | 66.5 Ų | 66.5 | 80% | 0.802 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -79.6 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E129 | A125-E129 PolarHBondContact N-OE2 2.86Š|
| 126 | S | 90.8 | Very high | 88.8 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 30% | 0.301 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -124.6 | 157.1 | -175.6 | 73.9 | 0 | 0 | 0 | 0 | 113.6 | A128 E129 V130 | S126-A128 PolarHBondContact O-N 3.43Å; S126-E129 WeakPolarHBondContact CB-OE1 3.41Å; S126-E129 PolarHBondContact N-OE1 3.27Å; S126-E129 PolarHBondContact O-N 3.12Å; S126-E129 VanDerWaalsContact OG-CD 3.24Å; S126-E129 WeakPolarHBondContact OG-CG 3.49Å; S126-E129 PolarHBondContact OG-N 3.33Å; S126-E129 VanDerWaalsContact OG-N 3.12Å; S126-E129 PolarHBondContact OG-OE1 2.91Å; S126-V130 WeakPolarHBondContact O-CG2 3.35Å; S126-V130 PolarHBondContact O-N 3.34Å |
| 127 | L | 91.5 | Very high | 89.2 | Confident | 45 Ų | 45 | 58 Ų | 58 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.6 | -21.6 | 172.3 | -68 | 178.3 | 0 | 0 | 0 | 112.6 | V71 L79 L101 R131 | V71-L127 HydrophobicContact CG2-CD2 3.89Å; L79-L127 HydrophobicContact CD1-CB 4.04Å; L79-L127 HydrophobicContact CD1-CD2 4.47Å; L79-L127 HydrophobicContact CD2-CD2 4.41Å; L101-L127 HydrophobicContact CD2-CD2 4.09Å; L127-R131 WeakPolarHBondContact O-CG 3.33Å; L127-R131 PolarHBondContact O-N 3.15Å |
| 128 | A | 92.7 | Very high | 89.6 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72.5 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S126 V130 R131 H132 | S126-A128 PolarHBondContact O-N 3.43Å; A128-V130 VanDerWaalsContact C-N 3.31Å; A128-V130 PolarHBondContact O-N 2.82Å; A128-R131 WeakPolarHBondContact O-CB 3.5Å; A128-R131 PolarHBondContact O-N 2.94Å; A128-R131 VanDerWaalsContact O-N 3.08Å; A128-H132 PolarHBondContact O-N 3.11Å |
| 129 | E | 93.7 | Very high | 89.9 | Confident | 85 Ų | 85 | 58 Ų | 58 | 40% | 0.397 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 172.4 | -74.7 | 153.5 | -121.3 | 0 | 0 | 111.8 | C124 A125 S126 R131 H132 A133 | C124-E129 HydrophobicContact CB-CB 4.04Å; A125-E129 PolarHBondContact N-OE2 2.86Å; S126-E129 WeakPolarHBondContact CB-OE1 3.41Å; S126-E129 PolarHBondContact N-OE1 3.27Å; S126-E129 PolarHBondContact O-N 3.12Å; S126-E129 VanDerWaalsContact OG-CD 3.24Å; S126-E129 WeakPolarHBondContact OG-CG 3.49Å; S126-E129 PolarHBondContact OG-N 3.33Å; S126-E129 VanDerWaalsContact OG-N 3.12Å; S126-E129 PolarHBondContact OG-OE1 2.91Å; E129-R131 VanDerWaalsContact C-N 3.26Å; E129-R131 PolarHBondContact O-N 2.72Å; E129-H132 PolarHBondContact O-N 3.05Å; E129-A133 WeakPolarHBondContact O-CB 3.43Å; E129-A133 PolarHBondContact O-N 3.45Å |
| 130 | V | 93 | Very high | 90.3 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 174.8 | 176 | 0 | 0 | 0 | 0 | 110.8 | L79 A97 A100 L101 C124 S126 A128 V134 | L79-V130 HydrophobicContact CD2-CB 4.18Å; L79-V130 HydrophobicContact CD2-CG1 3.65Å; A97-V130 HydrophobicContact CB-CG1 4.37Å; A100-V130 HydrophobicContact CB-CB 4.5Å; A100-V130 HydrophobicContact CB-CG1 3.96Å; A100-V130 HydrophobicContact CB-CG2 4.14Å; L101-V130 HydrophobicContact CD2-CG1 4.41Å; L101-V130 HydrophobicContact CD2-CG2 3.91Å; L101-V130 HydrophobicContact CG-CG1 4.25Å; L101-V130 HydrophobicContact CG-CG2 4.45Å; C124-V130 HydrophobicContact CB-CG2 3.45Å; C124-V130 VanDerWaalsContact CB-CG2 3.45Å; S126-V130 WeakPolarHBondContact O-CG2 3.35Å; S126-V130 PolarHBondContact O-N 3.34Å; A128-V130 VanDerWaalsContact C-N 3.31Å; A128-V130 PolarHBondContact O-N 2.82Å; V130-V134 HydrophobicContact CG1-CG2 4.29Å; V130-V134 VanDerWaalsContact O-CB 3.27Å; V130-V134 WeakPolarHBondContact O-CB 3.39Å; V130-V134 WeakPolarHBondContact O-CG2 3.16Å; V130-V134 PolarHBondContact O-N 3.23Å |
| 131 | R | 95 | Very high | 90.6 | Very high | 113 Ų | 113 | 56.3 Ų | 56.3 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 177.3 | -74.5 | 173.7 | 168.7 | 158.5 | 1.1 | 112.1 | L79 W80 L127 A128 E129 V134 A135 | L79-R131 HydrophobicContact CD1-CG 3.85Å; L79-R131 VanDerWaalsContact CD1-NE 3.29Å; L79-R131 HydrophobicContact CD2-CG 4.37Å; L79-R131 HydrophobicContact CG-CG 4.24Å; W80-R131 PolarHBondContact O-NE 3.46Å; W80-R131 PolarHBondContact O-NH2 3.06Å; L127-R131 WeakPolarHBondContact O-CG 3.33Å; L127-R131 PolarHBondContact O-N 3.15Å; A128-R131 WeakPolarHBondContact O-CB 3.5Å; A128-R131 PolarHBondContact O-N 2.94Å; A128-R131 VanDerWaalsContact O-N 3.08Å; E129-R131 VanDerWaalsContact C-N 3.26Å; E129-R131 PolarHBondContact O-N 2.72Å; R131-V134 PolarHBondContact O-N 2.85Å; R131-A135 WeakPolarHBondContact O-CB 3.29Å; R131-A135 PolarHBondContact O-N 3.28Å |
| 132 | H | 94.5 | Very high | 90.9 | Very high | 125 Ų | 125 | 56.7 Ų | 56.7 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63 | -52.4 | 179.6 | -169.2 | -73.5 | 0 | 0 | 0 | 110.8 | A128 E129 V134 A135 D136 | A128-H132 PolarHBondContact O-N 3.11Å; E129-H132 PolarHBondContact O-N 3.05Å; H132-V134 VanDerWaalsContact C-N 3.25Å; H132-V134 PolarHBondContact O-N 2.95Å; H132-A135 WeakPolarHBondContact O-CA 3.17Å; H132-A135 WeakPolarHBondContact O-CB 3.45Å; H132-A135 PolarHBondContact O-N 3.1Å; H132-D136 IonicContact CE1-OD1 3.64Å; H132-D136 PolarHBondContact CE1-OD1 3.21Å; H132-D136 IonicContact CE1-OD2 3.45Å; H132-D136 PolarHBondContact CE1-OD2 3.34Å; H132-D136 IonicContact CG-OD2 3.27Å; H132-D136 IonicContact ND1-OD1 2.73Å; H132-D136 IonicContact ND1-OD2 3.62Å; H132-D136 PolarHBondContact ND1-OD2 2.98Å; H132-D136 VanDerWaalsContact O-CG 3.31Å; H132-D136 PolarHBondContact O-N 2.88Å |
| 133 | A | 94 | Very high | 91.6 | Very high | 11 Ų | 11 | 59 Ų | 59 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -35.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | P121 E129 A137 | P121-A133 HydrophobicContact CG-CB 3.78Å; E129-A133 WeakPolarHBondContact O-CB 3.43Å; E129-A133 PolarHBondContact O-N 3.45Å; A133-A137 VanDerWaalsContact O-CB 3.27Å; A133-A137 WeakPolarHBondContact O-CB 3.27Å; A133-A137 PolarHBondContact O-N 3.08Å |
| 134 | V | 94.6 | Very high | 92 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 174.4 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | L81 A93 A96 A97 V130 R131 H132 V138 | L81-V134 HydrophobicContact CD1-CG1 4.41Å; L81-V134 HydrophobicContact CD2-CB 4.43Å; L81-V134 HydrophobicContact CD2-CG1 4.24Å; L81-V134 HydrophobicContact CD2-CG2 4.26Å; A93-V134 HydrophobicContact CB-CG1 3.81Å; A93-V134 WeakPolarHBondContact O-CG1 3.36Å; A96-V134 HydrophobicContact CB-CB 4.42Å; A96-V134 HydrophobicContact CB-CG1 4.35Å; A96-V134 HydrophobicContact CB-CG2 3.87Å; A97-V134 HydrophobicContact CB-CG2 3.77Å; V130-V134 HydrophobicContact CG1-CG2 4.29Å; V130-V134 VanDerWaalsContact O-CB 3.27Å; V130-V134 WeakPolarHBondContact O-CB 3.39Å; V130-V134 WeakPolarHBondContact O-CG2 3.16Å; V130-V134 PolarHBondContact O-N 3.23Å; R131-V134 PolarHBondContact O-N 2.85Å; H132-V134 VanDerWaalsContact C-N 3.25Å; H132-V134 PolarHBondContact O-N 2.95Å; V134-V138 HydrophobicContact CG1-CG2 4.41Å; V134-V138 WeakPolarHBondContact O-CB 3.41Å; V134-V138 WeakPolarHBondContact O-CG2 3.44Å; V134-V138 PolarHBondContact O-N 3.49Å; V134-V138 VanDerWaalsContact O-N 3.11Å |
| 135 | A | 94.5 | Very high | 91.9 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 45% | 0.446 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R131 H132 V138 E139 | R131-A135 WeakPolarHBondContact O-CB 3.29Å; R131-A135 PolarHBondContact O-N 3.28Å; H132-A135 WeakPolarHBondContact O-CA 3.17Å; H132-A135 WeakPolarHBondContact O-CB 3.45Å; H132-A135 PolarHBondContact O-N 3.1Å; A135-V138 PolarHBondContact O-N 3.34Å; A135-E139 WeakPolarHBondContact O-CB 3.38Å; A135-E139 PolarHBondContact O-N 3.38Å |
| 136 | D | 94.3 | Very high | 91.3 | Very high | 66 Ų | 66 | 65.2 Ų | 65.2 | 35% | 0.353 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.6 | -51.3 | 178.5 | -58.6 | -25.8 | 0 | 0 | 0 | 111.2 | H132 V138 E139 D140 | H132-D136 IonicContact CE1-OD1 3.64Å; H132-D136 PolarHBondContact CE1-OD1 3.21Å; H132-D136 IonicContact CE1-OD2 3.45Å; H132-D136 PolarHBondContact CE1-OD2 3.34Å; H132-D136 IonicContact CG-OD2 3.27Å; H132-D136 IonicContact ND1-OD1 2.73Å; H132-D136 IonicContact ND1-OD2 3.62Å; H132-D136 PolarHBondContact ND1-OD2 2.98Å; H132-D136 VanDerWaalsContact O-CG 3.31Å; H132-D136 PolarHBondContact O-N 2.88Å; D136-V138 VanDerWaalsContact C-N 3.28Å; D136-V138 PolarHBondContact O-N 3.19Å; D136-E139 PolarHBondContact O-N 3.14Å; D136-D140 WeakPolarHBondContact O-CB 3.38Å; D136-D140 PolarHBondContact O-N 2.96Å |
| 137 | A | 93.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.4 | -34.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L118 V120 A133 F141 | L118-A137 HydrophobicContact CB-CB 4.3Å; L118-A137 HydrophobicContact CD2-CB 4.26Å; V120-A137 HydrophobicContact CG2-CB 4.34Å; A133-A137 VanDerWaalsContact O-CB 3.27Å; A133-A137 WeakPolarHBondContact O-CB 3.27Å; A133-A137 PolarHBondContact O-N 3.08Å; A137-F141 WeakPolarHBondContact O-CB 3.23Å; A137-F141 PolarHBondContact O-N 3.12Å; A137-F141 VanDerWaalsContact O-N 3.08Å |
| 138 | V | 94 | Very high | 87.8 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.018 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -76.4 | -38.8 | 177 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | F84 A89 A93 V134 A135 D136 D140 F141 L142 | F84-V138 HydrophobicContact CD1-CG1 4.2Å; F84-V138 HydrophobicContact CE1-CB 4.46Å; F84-V138 HydrophobicContact CE1-CG1 3.74Å; A89-V138 HydrophobicContact CB-CG1 4.35Å; A93-V138 HydrophobicContact CB-CG2 3.78Å; V134-V138 HydrophobicContact CG1-CG2 4.41Å; V134-V138 WeakPolarHBondContact O-CB 3.41Å; V134-V138 WeakPolarHBondContact O-CG2 3.44Å; V134-V138 PolarHBondContact O-N 3.49Å; V134-V138 VanDerWaalsContact O-N 3.11Å; A135-V138 PolarHBondContact O-N 3.34Å; D136-V138 VanDerWaalsContact C-N 3.28Å; D136-V138 PolarHBondContact O-N 3.19Å; V138-D140 VanDerWaalsContact C-N 3.34Å; V138-F141 PolarHBondContact O-N 3.33Å; V138-L142 HydrophobicContact CG1-CD1 4.07Å; V138-L142 HydrophobicContact CG1-CG 4.37Å; V138-L142 WeakPolarHBondContact O-CB 3.26Å; V138-L142 VanDerWaalsContact O-CG 3.26Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 3.06Å |
| 139 | E | 93.2 | Very high | 86 | Confident | 96 Ų | 96 | 75.6 Ų | 75.6 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 174.9 | -173.1 | 173.6 | 177.8 | 0 | 0 | 111 | A135 D136 F141 L142 R143 | A135-E139 WeakPolarHBondContact O-CB 3.38Å; A135-E139 PolarHBondContact O-N 3.38Å; D136-E139 PolarHBondContact O-N 3.14Å; E139-F141 PolarHBondContact O-N 2.73Å; E139-L142 PolarHBondContact O-N 3.47Å; E139-R143 WeakPolarHBondContact O-CG 3.47Å; E139-R143 PolarHBondContact O-N 2.94Å; E139-R143 IonicContact OE1-CZ 3.84Å; E139-R143 IonicContact OE1-NE 3.01Å; E139-R143 IonicContact OE1-NH2 3.29Å; E139-R143 PolarHBondContact OE1-NH2 3.31Å |
| 140 | D | 93.1 | Very high | 84 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 34% | 0.342 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.5 | -72.4 | -24.4 | 0 | 0 | 0 | 111.5 | D136 V138 L142 R143 H144 | D136-D140 WeakPolarHBondContact O-CB 3.38Å; D136-D140 PolarHBondContact O-N 2.96Å; V138-D140 VanDerWaalsContact C-N 3.34Å; D140-L142 VanDerWaalsContact C-N 3.33Å; D140-L142 PolarHBondContact O-N 3.26Å; D140-R143 PolarHBondContact O-N 3.2Å; D140-R143 IonicContact OD1-NH1 3.93Å; D140-R143 PolarHBondContact OD1-NH1 3.09Å; D140-H144 PolarHBondContact O-N 3.11Å; D140-H144 VanDerWaalsContact O-N 3.08Å; D140-H144 PolarHBondContact O-ND1 2.89Å |
| 141 | F | 92.1 | Very high | 82 | Confident | 18 Ų | 18 | 83.9 Ų | 83.9 | 8% | 0.079 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.1 | -45 | 174.5 | 173.4 | -98.5 | 0 | 0 | 0 | 112.3 | R92 L117 L118 A137 V138 E139 R143 H144 Q145 | R92-F141 HydrophobicContact CG-CD1 4.36Å; R92-F141 HydrophobicContact CG-CE1 3.96Å; R92-F141 HydrophobicContact CG-CZ 4.01Å; L117-F141 HydrophobicContact CD1-CE2 4.26Å; L118-F141 HydrophobicContact CD2-CB 4.17Å; A137-F141 WeakPolarHBondContact O-CB 3.23Å; A137-F141 PolarHBondContact O-N 3.12Å; A137-F141 VanDerWaalsContact O-N 3.08Å; V138-F141 PolarHBondContact O-N 3.33Å; E139-F141 PolarHBondContact O-N 2.73Å; F141-R143 VanDerWaalsContact C-N 3.34Å; F141-R143 PolarHBondContact O-N 3.42Å; F141-H144 PolarHBondContact O-N 3.31Å; F141-Q145 HydrophobicContact CD1-CG 4.45Å; F141-Q145 VanDerWaalsContact CE1-CD 3.43Å; F141-Q145 HydrophobicContact CE1-CG 4.08Å; F141-Q145 HydrophobicContact CE2-CG 4.43Å; F141-Q145 HydrophobicContact CZ-CG 4.11Å; F141-Q145 PolarHBondContact O-N 3.34Å; F141-Q145 VanDerWaalsContact O-N 3.08Å |
| 142 | L | 91.1 | Very high | 80.1 | Confident | 69 Ų | 69 | 82.9 Ų | 82.9 | 36% | 0.361 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 178.7 | -71.6 | 172.1 | 0 | 0 | 0 | 111.7 | A89 V138 E139 D140 H144 Q145 V146 | A89-L142 HydrophobicContact CB-CD2 4.27Å; V138-L142 HydrophobicContact CG1-CD1 4.07Å; V138-L142 HydrophobicContact CG1-CG 4.37Å; V138-L142 WeakPolarHBondContact O-CB 3.26Å; V138-L142 VanDerWaalsContact O-CG 3.26Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 3.06Å; E139-L142 PolarHBondContact O-N 3.47Å; D140-L142 VanDerWaalsContact C-N 3.33Å; D140-L142 PolarHBondContact O-N 3.26Å; L142-H144 VanDerWaalsContact C-N 3.33Å; L142-H144 PolarHBondContact O-N 3.08Å; L142-Q145 PolarHBondContact O-N 2.78Å; L142-V146 VanDerWaalsContact O-CG2 3.29Å; L142-V146 WeakPolarHBondContact O-CG2 3.33Å; L142-V146 PolarHBondContact O-N 2.9Å |
| 143 | R | 91.2 | Very high | 78.3 | Confident | 147 Ų | 147 | 85.2 Ų | 85.2 | 56% | 0.555 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.5 | -42.6 | 174.7 | -72 | 169.7 | 178.8 | 168.9 | -3 | 111.8 | E139 D140 F141 Q145 V146 | E139-R143 WeakPolarHBondContact O-CG 3.47Å; E139-R143 PolarHBondContact O-N 2.94Å; E139-R143 IonicContact OE1-CZ 3.84Å; E139-R143 IonicContact OE1-NE 3.01Å; E139-R143 IonicContact OE1-NH2 3.29Å; E139-R143 PolarHBondContact OE1-NH2 3.31Å; D140-R143 PolarHBondContact O-N 3.2Å; D140-R143 IonicContact OD1-NH1 3.93Å; D140-R143 PolarHBondContact OD1-NH1 3.09Å; F141-R143 VanDerWaalsContact C-N 3.34Å; F141-R143 PolarHBondContact O-N 3.42Å; R143-Q145 VanDerWaalsContact C-N 3.33Å; R143-Q145 PolarHBondContact O-N 3.02Å; R143-V146 PolarHBondContact O-N 2.98Å |
| 144 | H | 87.2 | Confident | 76 | Confident | 145 Ų | 145 | 88.1 Ų | 88.1 | 67% | 0.671 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.8 | -29 | 178.7 | -71.4 | 83.1 | 0 | 0 | 0 | 113.1 | D140 F141 L142 V146 | D140-H144 PolarHBondContact O-N 3.11Å; D140-H144 VanDerWaalsContact O-N 3.08Å; D140-H144 PolarHBondContact O-ND1 2.89Å; F141-H144 PolarHBondContact O-N 3.31Å; L142-H144 VanDerWaalsContact C-N 3.33Å; L142-H144 PolarHBondContact O-N 3.08Å; H144-V146 VanDerWaalsContact C-N 3.28Å; H144-V146 PolarHBondContact O-N 2.97Å |
| 145 | Q | 82.4 | Confident | 73.5 | Confident | 96 Ų | 96 | 92.8 Ų | 92.8 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.1 | -19.6 | 174.7 | -73.3 | -160.6 | -23.3 | 0 | 0 | 113.8 | F141 L142 R143 V147 | F141-Q145 HydrophobicContact CD1-CG 4.45Å; F141-Q145 VanDerWaalsContact CE1-CD 3.43Å; F141-Q145 HydrophobicContact CE1-CG 4.08Å; F141-Q145 HydrophobicContact CE2-CG 4.43Å; F141-Q145 HydrophobicContact CZ-CG 4.11Å; F141-Q145 PolarHBondContact O-N 3.34Å; F141-Q145 VanDerWaalsContact O-N 3.08Å; L142-Q145 PolarHBondContact O-N 2.78Å; R143-Q145 VanDerWaalsContact C-N 3.33Å; R143-Q145 PolarHBondContact O-N 3.02Å; Q145-V147 PolarHBondContact O-N 2.94Å |
| 146 | V | 70.4 | Confident | 71.4 | Confident | 116 Ų | 116 | 95.8 Ų | 95.8 | 70% | 0.703 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 7 | -176 | 174.9 | 0 | 0 | 0 | 0 | 112.5 | L142 R143 H144 P148 | L142-V146 VanDerWaalsContact O-CG2 3.29Å; L142-V146 WeakPolarHBondContact O-CG2 3.33Å; L142-V146 PolarHBondContact O-N 2.9Å; R143-V146 PolarHBondContact O-N 2.98Å; H144-V146 VanDerWaalsContact C-N 3.28Å; H144-V146 PolarHBondContact O-N 2.97Å; V146-P148 WeakPolarHBondContact O-CD 3.49Å; V146-P148 VanDerWaalsContact O-N 3.11Å |
| 147 | V | 58.6 | Low | 69.2 | Low | 103 Ų | 103 | 98.8 Ų | 98.8 | 62% | 0.624 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -66.2 | 111.2 | 167.9 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | Q145 E149 | Q145-V147 PolarHBondContact O-N 2.94Å; V147-E149 PolarHBondContact O-N 2.72Å |
| 148 | P | 51.2 | Low | 66.9 | Low | 73 Ų | 73 | 104.2 Ų | 104.2 | 47% | 0.474 | 60% | 0.595 | S | S | . | * | trans | -65.6 | 135.4 | -175.7 | 27.1 | -32.3 | 0 | 0 | 0 | 109.7 | V146 D150 | V146-P148 WeakPolarHBondContact O-CD 3.49Å; V146-P148 VanDerWaalsContact O-N 3.11Å; P148-D150 HydrophobicContact CB-CB 4.45Å; P148-D150 PolarHBondContact O-N 3.03Å | ||
| 149 | E | 54.3 | Low | 64.8 | Low | 194 Ų | 194 | 109.3 Ų | 109.3 | 91% | 0.907 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 22.5 | 173.6 | -58.3 | -165.8 | 124.3 | 0 | 0 | 113.4 | V147 | V147-E149 PolarHBondContact O-N 2.72Š|
| 150 | D | 51.8 | Low | 62.8 | Low | 144 Ų | 144 | 110.7 Ų | 110.7 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -6.8 | 177.5 | -72.4 | -56.5 | 0 | 0 | 0 | 113.4 | P148 | P148-D150 HydrophobicContact CB-CB 4.45Å; P148-D150 PolarHBondContact O-N 3.03Å |
| 151 | D | 50.9 | Low | 60.6 | Low | 118 Ų | 118 | 113.2 Ų | 113.2 | 63% | 0.631 | 67% | 0.671 | S | S | * | * | trans | -106.4 | 19.7 | -176.6 | -78.5 | -42.6 | 0 | 0 | 0 | 115.3 | L153 A154 | D151-L153 PolarHBondContact O-N 3.04Å; D151-A154 PolarHBondContact O-N 3.22Å | ||
| 152 | A | 55.1 | Low | 58.5 | Low | 93 Ų | 93 | 117.4 Ų | 117.4 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 13.5 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 153 | L | 55.7 | Low | 56.9 | Low | 174 Ų | 174 | 123.4 Ų | 123.4 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 3.7 | 175.8 | -67.6 | 179.8 | 0 | 0 | 0 | 115.4 | D151 | D151-L153 PolarHBondContact O-N 3.04Š|
| 154 | A | 46 | Very low | 54.8 | Low | 71 Ų | 71 | 124.2 Ų | 124.2 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | trans | -110.3 | 66.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D151 T156 | D151-A154 PolarHBondContact O-N 3.22Å; A154-T156 PolarHBondContact O-N 3.45Å | ||
| 155 | A | 42.8 | Very low | 53 | Low | 100 Ų | 100 | 121.1 Ų | 121.1 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -71.4 | 91.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 156 | T | 49.6 | Very low | 51.1 | Low | 118 Ų | 118 | 123.5 Ų | 123.5 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | -149.3 | 113.3 | 155.5 | 52.7 | 0 | 0 | 0 | 0 | 110.7 | A154 S158 | A154-T156 PolarHBondContact O-N 3.45Å; T156-S158 PolarHBondContact O-N 3.08Å | ||
| 157 | P | 47.9 | Very low | 50 | Low | 129 Ų | 129 | 123.7 Ų | 123.7 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -87.1 | 102.7 | 170.8 | 33 | -27.1 | 0 | 0 | 0 | 109.2 | ||||
| 158 | S | 46.3 | Very low | 49.6 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -94.2 | 105.4 | 167.7 | 48.2 | 0 | 0 | 0 | 0 | 109.8 | T156 | T156-S158 PolarHBondContact O-N 3.08Š| ||
| 159 | S | 49.9 | Very low | 49.5 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -62.2 | 166.3 | 172.3 | -66.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 160 | P | 50.5 | Low | 49 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | trans | -92.6 | 152.6 | -153 | 37 | -32.7 | 0 | 0 | 0 | 113.7 | ||||
| 161 | S | 46.8 | Very low | 48.7 | Very low | 117 Ų | 117 | 118.5 Ų | 118.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -111.1 | 109.8 | 170.6 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 162 | S | 49.5 | Very low | 48.2 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -69.6 | 139.9 | 168.3 | 40.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 163 | E | 56.9 | Low | 47.8 | Very low | 195 Ų | 195 | 122.6 Ų | 122.6 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -133.3 | 114.9 | 162.1 | -57.6 | -166.6 | 149 | 0 | 0 | 110 | ||||
| 164 | D | 48.2 | Very low | 47.2 | Very low | 165 Ų | 165 | 119 Ų | 119 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -69.7 | 151.3 | 175.1 | -71.1 | -77.1 | 0 | 0 | 0 | 112.9 | ||||
| 165 | G | 48.1 | Very low | 47.3 | Very low | 79 Ų | 79 | 120.9 Ų | 120.9 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -171.2 | 67 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 166 | N | 43.1 | Very low | 47.2 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -50.2 | 146 | 169.3 | -171.6 | 63.3 | 0 | 0 | 0 | 112.7 | ||||
| 167 | T | 47.9 | Very low | 47.1 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | 171.1 | 142.2 | 114 | -57 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 168 | S | 50.2 | Low | 47.5 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -66.4 | 157.4 | -172.5 | 47.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 169 | D | 47.6 | Very low | 48.3 | Very low | 163 Ų | 163 | 122.4 Ų | 122.4 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | 119.7 | 130.9 | 123 | -158.3 | 44.9 | 0 | 0 | 0 | 118.1 | |||||
| 170 | G | 44.4 | Very low | 48.3 | Very low | 69 Ų | 69 | 122.5 Ų | 122.5 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 87.7 | 121 | 141 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 171 | G | 44.6 | Very low | 48 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 116.3 | 97.2 | 133.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 172 | E | 42.2 | Very low | 48.2 | Very low | 190 Ų | 190 | 121.6 Ų | 121.6 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -24.4 | 147.7 | 151.1 | 60.6 | -165 | 94.3 | 0 | 0 | 119.6 | ||||
| 173 | S | 46.5 | Very low | 48.1 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | 133.3 | 126.6 | 132.1 | -162.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 174 | S | 42.8 | Very low | 47.7 | Very low | 98 Ų | 98 | 116 Ų | 116 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -30.9 | 141.6 | 166.1 | 42.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 175 | S | 47.7 | Very low | 48.1 | Very low | 112 Ų | 112 | 114.1 Ų | 114.1 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | 163.9 | 123.1 | 118.2 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 176 | D | 39.8 | Very low | 48.4 | Very low | 151 Ų | 151 | 119.8 Ų | 119.8 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | 40 | 112.1 | 130.2 | -158.6 | 52.7 | 0 | 0 | 0 | 120.3 | ||||
| 177 | S | 49.3 | Very low | 48.8 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 171 | 134.9 | 132.7 | -80.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 178 | S | 54.5 | Low | 48.9 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -71.9 | 170.8 | -173.4 | -56 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 179 | P | 63.4 | Low | 48.8 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -105.6 | -178.5 | -161 | 41.4 | -33.3 | 0 | 0 | 0 | 114.6 | ||||
| 180 | P | 50.5 | Low | 49.3 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -126.5 | 122.1 | 153.9 | 34.1 | -19.3 | 0 | 0 | 0 | 114.8 | ||||
| 181 | T | 44.5 | Very low | 49.8 | Very low | 144 Ų | 144 | 126.2 Ų | 126.2 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | 52.6 | 110.2 | 124 | -22.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 182 | G | 51.5 | Low | 50.4 | Low | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -153 | 108.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 183 | A | 46.9 | Very low | 51.1 | Low | 107 Ų | 107 | 128.6 Ų | 128.6 | 88% | 0.884 | 77% | 0.768 | S | S | * | * | trans | -70.6 | 136 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 184 | S | 47.8 | Very low | 51.5 | Low | 77 Ų | 77 | 130.9 Ų | 130.9 | 54% | 0.538 | 77% | 0.769 | S | S | . | * | trans | -127.1 | 134.8 | 156.9 | 104.3 | 0 | 0 | 0 | 0 | 109.8 | F186 | S184-F186 VanDerWaalsContact C-N 3.31Å; S184-F186 PolarHBondContact O-N 3.28Å | ||
| 185 | P | 56.8 | Low | 52.1 | Low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 23 | -163.9 | -5.4 | 26.3 | 0 | 0 | 0 | 115.3 | ||
| 186 | F | 53.3 | Low | 52.6 | Low | 197 Ų | 197 | 132.9 Ų | 132.9 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | 17.7 | -176.6 | -86 | -81.1 | 0 | 0 | 0 | 115 | S184 F188 | S184-F186 VanDerWaalsContact C-N 3.31Å; S184-F186 PolarHBondContact O-N 3.28Å; F186-F188 PolarHBondContact O-N 3.48Å |
| 187 | E | 52.9 | Low | 53.5 | Low | 155 Ų | 155 | 131.3 Ų | 131.3 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | -85.2 | 102.4 | 169.9 | -100.6 | -175 | 129.1 | 0 | 0 | 111.2 | D189 | E187-D189 VanDerWaalsContact C-N 3.26Å; E187-D189 PolarHBondContact O-N 2.73Å; E187-D189 VanDerWaalsContact O-N 3.07Å | ||
| 188 | F | 48.7 | Very low | 53.9 | Low | 156 Ų | 156 | 131 Ų | 131 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | trans | -75.1 | 82.6 | 164.7 | -176.5 | -100 | 0 | 0 | 0 | 108.4 | F186 V190 F191 | F186-F188 PolarHBondContact O-N 3.48Å; F188-V190 HydrophobicContact CD1-CB 4.14Å; F188-V190 HydrophobicContact CD1-CG2 4.35Å; F188-V190 HydrophobicContact CD2-CG2 4.01Å; F188-V190 HydrophobicContact CE1-CB 3.67Å; F188-V190 HydrophobicContact CE1-CG2 4.12Å; F188-V190 HydrophobicContact CE2-CB 4.18Å; F188-V190 HydrophobicContact CE2-CG2 3.75Å; F188-V190 HydrophobicContact CG-CG2 4.31Å; F188-V190 HydrophobicContact CZ-CB 3.7Å; F188-V190 HydrophobicContact CZ-CG1 4.29Å; F188-V190 HydrophobicContact CZ-CG2 3.81Å; F188-V190 PolarHBondContact O-N 2.93Å; F188-V190 VanDerWaalsContact O-N 3.09Å; F188-F191 HydrophobicContact CD1-CD2 4.49Å; F188-F191 HydrophobicContact CD1-CE2 4.41Å; F188-F191 HydrophobicContact CE1-CD2 4.4Å; F188-F191 HydrophobicContact CE1-CE2 4.09Å | ||
| 189 | D | 49.6 | Very low | 54.3 | Low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | trans | -87 | 57.5 | -178.4 | -141.7 | -1.3 | 0 | 0 | 0 | 110.9 | E187 | E187-D189 VanDerWaalsContact C-N 3.26Å; E187-D189 PolarHBondContact O-N 2.73Å; E187-D189 VanDerWaalsContact O-N 3.07Å | ||
| 190 | V | 57.4 | Low | 54.2 | Low | 98 Ų | 98 | 132.7 Ų | 132.7 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | trans | -120 | 51.9 | -178.1 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | F188 | F188-V190 HydrophobicContact CD1-CB 4.14Å; F188-V190 HydrophobicContact CD1-CG2 4.35Å; F188-V190 HydrophobicContact CD2-CG2 4.01Å; F188-V190 HydrophobicContact CE1-CB 3.67Å; F188-V190 HydrophobicContact CE1-CG2 4.12Å; F188-V190 HydrophobicContact CE2-CB 4.18Å; F188-V190 HydrophobicContact CE2-CG2 3.75Å; F188-V190 HydrophobicContact CG-CG2 4.31Å; F188-V190 HydrophobicContact CZ-CB 3.7Å; F188-V190 HydrophobicContact CZ-CG1 4.29Å; F188-V190 HydrophobicContact CZ-CG2 3.81Å; F188-V190 PolarHBondContact O-N 2.93Å; F188-V190 VanDerWaalsContact O-N 3.09Å | ||
| 191 | F | 54.3 | Low | 54.8 | Low | 188 Ų | 188 | 129.8 Ų | 129.8 | 83% | 0.825 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -134.5 | 0 | 177.9 | -93.8 | -76.1 | 0 | 0 | 0 | 115.8 | F188 | F188-F191 HydrophobicContact CD1-CD2 4.49Å; F188-F191 HydrophobicContact CD1-CE2 4.41Å; F188-F191 HydrophobicContact CE1-CD2 4.4Å; F188-F191 HydrophobicContact CE1-CE2 4.09Å |
| 192 | N | 57.1 | Low | 55.7 | Low | 154 Ų | 154 | 126.7 Ų | 126.7 | 82% | 0.824 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -113.9 | 2.4 | -169.2 | -148.4 | 35.1 | 0 | 0 | 0 | 116.6 | ||
| 193 | D | 57.5 | Low | 56.4 | Low | 161 Ų | 161 | 128 Ų | 128 | 86% | 0.861 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -140.8 | 29.8 | -173.8 | -145.1 | 16.5 | 0 | 0 | 0 | 115.9 | ||
| 194 | M | 54.5 | Low | 57 | Low | 155 Ų | 155 | 125.8 Ų | 125.8 | 76% | 0.764 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -134.5 | 101 | 163.2 | -83.4 | -154.1 | 153.8 | 0 | 0 | 110.9 | W196 L198 | M194-W196 PolarHBondContact O-N 3.41Å; M194-L198 HydrophobicContact CE-CD2 4.34Å |
| 195 | S | 55.6 | Low | 57.6 | Low | 68 Ų | 68 | 129.5 Ų | 129.5 | 48% | 0.476 | 66% | 0.663 | S | S | . | * | trans | -34.1 | 118.1 | 164.4 | 153.9 | 0 | 0 | 0 | 0 | 110.7 | D197 L198 | S195-D197 PolarHBondContact O-N 3.47Å; S195-D197 VanDerWaalsContact OG-CB 3.29Å; S195-D197 WeakPolarHBondContact OG-CB 3.29Å; S195-D197 PolarHBondContact OG-N 3.24Å; S195-D197 PolarHBondContact OG-OD2 2.87Å; S195-D197 VanDerWaalsContact OG-OD2 3.09Å; S195-L198 PolarHBondContact O-N 2.91Å | ||
| 196 | W | 58.8 | Low | 57.8 | Low | 184 Ų | 184 | 126 Ų | 126 | 70% | 0.697 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -47.5 | -25.2 | 170.9 | 178.1 | -105.2 | 0 | 0 | 0 | 112.9 | M194 H199 Y200 | M194-W196 PolarHBondContact O-N 3.41Å; W196-H199 PolarHBondContact O-N 3.23Å; W196-Y200 HydrophobicContact CD2-CD2 4.36Å; W196-Y200 HydrophobicContact CD2-CE2 4.29Å; W196-Y200 AromaticContact CE2-CD2 3.9Å; W196-Y200 AromaticContact CE2-CE2 3.47Å; W196-Y200 VanDerWaalsContact CE2-CE2 3.47Å; W196-Y200 HydrophobicContact CH2-CE2 4.09Å; W196-Y200 HydrophobicContact CZ2-CD2 4.26Å; W196-Y200 AromaticContact CZ2-CE2 3.41Å; W196-Y200 HydrophobicContact CZ2-CE2 3.41Å; W196-Y200 VanDerWaalsContact CZ2-CE2 3.41Å; W196-Y200 AromaticContact NE1-CD2 3.8Å; W196-Y200 AromaticContact NE1-CE2 3.61Å; W196-Y200 PolarHBondContact O-N 3.36Å |
| 197 | D | 57.6 | Low | 58.2 | Low | 118 Ų | 118 | 124 Ų | 124 | 63% | 0.631 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.7 | -31.7 | 179.1 | -46.6 | -58.1 | 0 | 0 | 0 | 112.8 | S195 A201 | S195-D197 PolarHBondContact O-N 3.47Å; S195-D197 VanDerWaalsContact OG-CB 3.29Å; S195-D197 WeakPolarHBondContact OG-CB 3.29Å; S195-D197 PolarHBondContact OG-N 3.24Å; S195-D197 PolarHBondContact OG-OD2 2.87Å; S195-D197 VanDerWaalsContact OG-OD2 3.09Å; D197-A201 PolarHBondContact O-N 3.17Å; D197-A201 VanDerWaalsContact O-N 3.17Å |
| 198 | L | 59.4 | Low | 58.6 | Low | 107 Ų | 107 | 124.2 Ų | 124.2 | 56% | 0.56 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.2 | -31.9 | 177.5 | -166.7 | 61.8 | 0 | 0 | 0 | 111.8 | M194 S195 A201 S202 | M194-L198 HydrophobicContact CE-CD2 4.34Å; S195-L198 PolarHBondContact O-N 2.91Å; L198-A201 PolarHBondContact O-N 3.35Å; L198-S202 PolarHBondContact O-N 3.27Å; L198-S202 VanDerWaalsContact O-N 3.14Å |
| 199 | H | 61.5 | Low | 59.5 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.1 | -33.5 | 178.3 | -148.5 | -62.4 | 0 | 0 | 0 | 112.1 | W196 L203 | W196-H199 PolarHBondContact O-N 3.23Å; H199-L203 WeakPolarHBondContact O-CG 3.15Å; H199-L203 PolarHBondContact O-N 3.46Å |
| 200 | Y | 62.6 | Low | 60.4 | Low | 139 Ų | 139 | 124 Ų | 124 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -73 | -36.7 | 171.9 | -99 | -90.5 | 0 | 0 | 0 | 112.9 | W196 S202 L203 A204 | W196-Y200 HydrophobicContact CD2-CD2 4.36Å; W196-Y200 HydrophobicContact CD2-CE2 4.29Å; W196-Y200 AromaticContact CE2-CD2 3.9Å; W196-Y200 AromaticContact CE2-CE2 3.47Å; W196-Y200 VanDerWaalsContact CE2-CE2 3.47Å; W196-Y200 HydrophobicContact CH2-CE2 4.09Å; W196-Y200 HydrophobicContact CZ2-CD2 4.26Å; W196-Y200 AromaticContact CZ2-CE2 3.41Å; W196-Y200 HydrophobicContact CZ2-CE2 3.41Å; W196-Y200 VanDerWaalsContact CZ2-CE2 3.41Å; W196-Y200 AromaticContact NE1-CD2 3.8Å; W196-Y200 AromaticContact NE1-CE2 3.61Å; W196-Y200 PolarHBondContact O-N 3.36Å; Y200-S202 VanDerWaalsContact C-N 3.3Å; Y200-S202 PolarHBondContact O-N 2.73Å; Y200-L203 PolarHBondContact O-N 2.61Å; Y200-A204 PolarHBondContact O-N 2.81Å; Y200-A204 VanDerWaalsContact O-N 3.13Å |
| 201 | A | 62.6 | Low | 61 | Low | 52 Ų | 52 | 124.2 Ų | 124.2 | 43% | 0.43 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63.8 | -35.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D197 L198 A204 | D197-A201 PolarHBondContact O-N 3.17Å; D197-A201 VanDerWaalsContact O-N 3.17Å; L198-A201 PolarHBondContact O-N 3.35Å; A201-A204 PolarHBondContact O-N 3.28Å |
| 202 | S | 63.6 | Low | 61.8 | Low | 78 Ų | 78 | 121.4 Ų | 121.4 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -71.9 | -34.7 | 176.2 | -166.5 | 0 | 0 | 0 | 0 | 112.9 | L198 Y200 A204 Q205 | L198-S202 PolarHBondContact O-N 3.27Å; L198-S202 VanDerWaalsContact O-N 3.14Å; Y200-S202 VanDerWaalsContact C-N 3.3Å; Y200-S202 PolarHBondContact O-N 2.73Å; S202-A204 VanDerWaalsContact C-N 3.34Å; S202-Q205 PolarHBondContact O-N 3.37Å |
| 203 | L | 65.6 | Low | 62 | Low | 106 Ų | 106 | 118.5 Ų | 118.5 | 56% | 0.555 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.5 | -31.8 | 173.4 | -72.2 | 173 | 0 | 0 | 0 | 112.8 | H199 Y200 Q205 G206 | H199-L203 WeakPolarHBondContact O-CG 3.15Å; H199-L203 PolarHBondContact O-N 3.46Å; Y200-L203 PolarHBondContact O-N 2.61Å; L203-Q205 VanDerWaalsContact C-N 3.25Å; L203-Q205 PolarHBondContact O-N 3.27Å; L203-G206 PolarHBondContact O-N 3.48Å |
| 204 | A | 60.5 | Low | 62.1 | Low | 60 Ų | 60 | 115.5 Ų | 115.5 | 50% | 0.496 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.5 | -24 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y200 A201 S202 G206 | Y200-A204 PolarHBondContact O-N 2.81Å; Y200-A204 VanDerWaalsContact O-N 3.13Å; A201-A204 PolarHBondContact O-N 3.28Å; S202-A204 VanDerWaalsContact C-N 3.34Å; A204-G206 VanDerWaalsContact C-N 3.33Å |
| 205 | Q | 58.8 | Low | 62 | Low | 156 Ų | 156 | 113.4 Ų | 113.4 | 73% | 0.729 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75 | -20.5 | 176.7 | -67.8 | -176.4 | -14.4 | 0 | 0 | 113.3 | S202 L203 | S202-Q205 PolarHBondContact O-N 3.37Å; L203-Q205 VanDerWaalsContact C-N 3.25Å; L203-Q205 PolarHBondContact O-N 3.27Å |
| 206 | G | 61.7 | Low | 61.5 | Low | 53 Ų | 53 | 116.3 Ų | 116.3 | 55% | 0.546 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.9 | -12.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L203 A204 L208 | L203-G206 PolarHBondContact O-N 3.48Å; A204-G206 VanDerWaalsContact C-N 3.33Å; G206-L208 VanDerWaalsContact C-N 3.35Å |
| 207 | L | 62.5 | Low | 61.2 | Low | 155 Ų | 155 | 111.6 Ų | 111.6 | 81% | 0.812 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -88.4 | -1.2 | 178.6 | -84 | 156.8 | 0 | 0 | 0 | 113.4 | V209 | L207-V209 VanDerWaalsContact C-N 3.3Å; L207-V209 PolarHBondContact O-N 3.08Å |
| 208 | L | 61.1 | Low | 60.3 | Low | 159 Ų | 159 | 114.9 Ų | 114.9 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | trans | -96.4 | 38.4 | 173.5 | -155.7 | 73.8 | 0 | 0 | 0 | 111.5 | G206 E210 | G206-L208 VanDerWaalsContact C-N 3.35Å; L208-E210 PolarHBondContact O-N 3.46Å | ||
| 209 | V | 67.7 | Low | 59.8 | Low | 119 Ų | 119 | 117.3 Ų | 117.3 | 72% | 0.721 | 68% | 0.681 | S | S | * | * | trans | -85.9 | 105.8 | 165.2 | 178.6 | 0 | 0 | 0 | 0 | 106.4 | L207 | L207-V209 VanDerWaalsContact C-N 3.3Å; L207-V209 PolarHBondContact O-N 3.08Å | ||
| 210 | E | 68.9 | Low | 59.2 | Low | 167 Ų | 167 | 118.2 Ų | 118.2 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 126.2 | 172 | -168.6 | 175.6 | 172.9 | 0 | 0 | 108.5 | L208 | L208-E210 PolarHBondContact O-N 3.46Š|
| 211 | P | 69.4 | Low | 58.6 | Low | 102 Ų | 102 | 119.9 Ų | 119.9 | 66% | 0.662 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 140.5 | 175.9 | 25.6 | -33.1 | 0 | 0 | 0 | 108.4 | S213 | P211-S213 PolarHBondContact O-N 2.68Š|
| 212 | P | 70.7 | Confident | 57.9 | Low | 130 Ų | 130 | 121 Ų | 121 | 84% | 0.844 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 121.8 | 178.7 | 20.3 | -31.2 | 0 | 0 | 0 | 109.7 | A214 | P212-A214 PolarHBondContact O-N 3.34Š|
| 213 | S | 61.8 | Low | 57.5 | Low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 127.4 | -179.2 | -177 | 0 | 0 | 0 | 0 | 109.7 | P211 V215 | P211-S213 PolarHBondContact O-N 2.68Å; S213-V215 PolarHBondContact O-N 3.07Å |
| 214 | A | 58.8 | Low | 57.1 | Low | 98 Ų | 98 | 126.6 Ų | 126.6 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -70.8 | 64.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P212 T216 | P212-A214 PolarHBondContact O-N 3.34Å; A214-T216 PolarHBondContact O-N 3.09Å; A214-T216 VanDerWaalsContact O-N 3.1Å | ||
| 215 | V | 53.4 | Low | 57 | Low | 111 Ų | 111 | 131.6 Ų | 131.6 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | trans | -75.5 | 102.2 | 169.4 | 171.2 | 0 | 0 | 0 | 0 | 107.2 | S213 A217 | S213-V215 PolarHBondContact O-N 3.07Å; V215-A217 PolarHBondContact O-N 3.47Å | ||
| 216 | T | 44.9 | Very low | 57.6 | Low | 129 Ų | 129 | 129.6 Ų | 129.6 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -44.6 | 97 | 159.9 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | A214 | A214-T216 PolarHBondContact O-N 3.09Å; A214-T216 VanDerWaalsContact O-N 3.1Å | ||
| 217 | A | 51.8 | Low | 58 | Low | 84 Ų | 84 | 131.5 Ų | 131.5 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | trans | -122.5 | 85.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | V215 | V215-A217 PolarHBondContact O-N 3.47Š| ||
| 218 | F | 39.8 | Very low | 58.2 | Low | 187 Ų | 187 | 132.2 Ų | 132.2 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | 41.6 | 84.4 | 99.5 | -114 | -86.4 | 0 | 0 | 0 | 111.1 | |||||
| 219 | M | 49.2 | Very low | 58.8 | Low | 159 Ų | 159 | 136.1 Ų | 136.1 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 159.2 | 120.7 | 134 | -80.6 | -77.5 | 138.7 | 0 | 0 | 109.7 | ||||
| 220 | D | 48.5 | Very low | 58.6 | Low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | 80 | 121.5 | 148.3 | -127 | 32.9 | 0 | 0 | 0 | 121.3 | ||||
| 221 | E | 49.4 | Very low | 58.2 | Low | 173 Ų | 173 | 140.6 Ų | 140.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | 66.8 | 77.5 | 148.4 | -66.4 | -90.6 | 129.7 | 0 | 0 | 119.5 | ||||
| 222 | G | 48 | Very low | 57.6 | Low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | 35.3 | 86.5 | 128.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 223 | F | 55.3 | Low | 56.9 | Low | 208 Ų | 208 | 143.2 Ų | 143.2 | 91% | 0.912 | 79% | 0.789 | S | S | * | * | trans | -145.2 | 126.6 | 147 | -121.8 | -94.4 | 0 | 0 | 0 | 109 | D225 | F223-D225 PolarHBondContact O-N 2.82Š| ||
| 224 | A | 57.5 | Low | 56.7 | Low | 93 Ų | 93 | 146 Ų | 146 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -67.9 | 115.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V226 | A224-V226 PolarHBondContact O-N 3.18Š| ||
| 225 | D | 57.4 | Low | 56.6 | Low | 164 Ų | 164 | 148.8 Ų | 148.8 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -72.2 | 113.2 | 168.2 | -95.3 | -32.8 | 0 | 0 | 0 | 110.2 | F223 | F223-D225 PolarHBondContact O-N 2.82Š| ||
| 226 | V | 71.6 | Confident | 56.8 | Low | 114 Ų | 114 | 151.2 Ų | 151.2 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | -101.5 | 116.6 | 165.3 | -176.7 | 0 | 0 | 0 | 0 | 107.3 | A224 L228 | A224-V226 PolarHBondContact O-N 3.18Å; V226-L228 PolarHBondContact O-N 3.42Å | ||
| 227 | P | 71.3 | Confident | 57.5 | Low | 93 Ų | 93 | 152.7 Ų | 152.7 | 60% | 0.604 | 80% | 0.804 | S | S | * | * | trans | -64 | 127 | -179.9 | 23.1 | -30.3 | 0 | 0 | 0 | 110.3 | W229 S230 | P227-W229 PolarHBondContact O-N 2.95Å; P227-S230 PolarHBondContact O-N 3.05Å; P227-S230 PolarHBondContact O-OG 3.45Å | ||
| 228 | L | 66.7 | Low | 58 | Low | 170 Ų | 170 | 157.6 Ų | 157.6 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 0.7 | -175.1 | -172.3 | 60.1 | 0 | 0 | 0 | 115.5 | V226 | V226-L228 PolarHBondContact O-N 3.42Š|
| 229 | W | 73.8 | Confident | 59.4 | Low | 241 Ų | 241 | 155.3 Ų | 155.3 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 14.1 | -169.7 | -60.8 | 68.8 | 0 | 0 | 0 | 113.4 | P227 | P227-W229 PolarHBondContact O-N 2.95Š|
| 230 | S | 63.1 | Low | 60.2 | Low | 74 Ų | 74 | 155 Ų | 155 | 52% | 0.517 | 81% | 0.813 | S | S | . | * | trans | -107.2 | 81.6 | 179 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | P227 | P227-S230 PolarHBondContact O-N 3.05Å; P227-S230 PolarHBondContact O-OG 3.45Å | ||
| 231 | Y | 59.8 | Low | 61.3 | Low | 307 Ų | 307 | 155.8 Ų | 155.8 | 100% | 1.204 | 82% | 0.816 | S | S | * | * | trans | -147.2 | 0 | 162.8 | -105.1 | -76.4 | 0 | 0 | 0 | 111.2 |
Retrieved 231 of 231 residues in 92.8 ms
(Link to these results)